#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bk4 s ASP 7 N 0.00 6.83 0.31 -2.13 -4.77 -1.26 -4.98 116.67 110.66 1bk4 s ASP 7 Ca 0.00 0.98 0.24 0.00 -3.30 0.00 0.00 52.55 50.47 1bk4 s ASP 7 Cb 0.00 -2.29 0.42 0.00 -1.09 0.00 0.00 42.92 39.96 1bk4 s ASP 7 CO 0.00 0.21 1.54 0.71 0.70 0.00 0.00 175.17 178.33 1bk4 h THR 8 N 3.99 0.00 -3.12 2.11 1.35 -2.12 -3.40 112.91 111.72 1bk4 h THR 8 Ca -0.48 -0.80 -0.62 0.00 -0.55 0.00 0.00 66.41 63.96 1bk4 h THR 8 Cb 1.21 1.68 -0.40 0.00 -1.73 0.00 0.00 68.15 68.90 1bk4 h THR 8 CO 0.66 0.00 -0.71 -0.62 -0.25 0.00 0.00 175.52 174.61 1bk4 s ASP 9 N -5.40 3.87 -0.18 5.36 2.15 -1.26 -5.09 116.67 116.12 1bk4 s ASP 9 Ca 0.07 -2.69 -0.27 0.00 0.43 0.00 0.00 52.55 50.09 1bk4 s ASP 9 Cb 0.09 -1.21 -0.01 0.00 -0.30 0.00 0.00 42.92 41.49 1bk4 s ASP 9 CO 0.67 -0.27 0.91 -0.63 -0.17 0.00 0.00 175.17 175.69 1bk4 s ILE 10 N 0.23 4.81 -1.19 4.11 1.01 -1.26 -4.99 121.20 123.93 1bk4 s ILE 10 Ca 0.17 1.79 -0.14 0.00 0.00 0.00 0.00 60.65 62.47 1bk4 s ILE 10 Cb -0.25 -4.21 0.17 0.00 0.01 0.00 0.00 42.46 38.18 1bk4 s ILE 10 CO -0.01 -0.04 1.42 -0.55 0.00 0.00 0.00 174.94 175.76 1bk4 s SER 11 N 1.18 7.03 0.43 3.58 0.15 -1.26 -4.99 113.70 119.83 1bk4 s SER 11 Ca 0.41 -2.91 -0.07 0.00 0.70 0.00 0.00 55.95 54.08 1bk4 s SER 11 Cb -0.16 -2.40 -0.05 0.00 -1.71 0.00 0.00 66.02 61.70 1bk4 s SER 11 CO 0.11 -0.78 0.75 0.42 1.20 0.00 0.00 173.24 174.94 1bk4 s THR 12 N 1.72 4.89 0.22 6.45 -4.23 -1.26 -1.03 115.64 122.40 1bk4 s THR 12 Ca 0.42 0.30 -0.07 0.00 -1.18 0.00 0.00 61.69 61.16 1bk4 s THR 12 Cb -0.03 -3.81 0.17 0.00 1.34 0.00 0.00 72.50 70.18 1bk4 s THR 12 CO -0.01 -0.68 1.82 -0.03 -0.54 0.00 0.00 174.62 175.18 1bk4 h MET 13 N 0.71 0.74 -0.29 3.99 1.85 -1.46 -2.37 114.93 118.10 1bk4 h MET 13 Ca -0.47 -0.04 0.04 0.00 -0.61 0.00 0.00 59.70 58.62 1bk4 h MET 13 Cb 1.20 -0.17 -0.04 0.00 0.43 0.00 0.00 31.60 33.02 1bk4 h MET 13 CO 0.63 0.49 0.04 1.15 -0.40 0.00 0.00 176.91 178.82 1bk4 h THR 14 N 0.76 0.84 -0.66 -0.77 2.02 -1.94 0.25 112.91 113.42 1bk4 h THR 14 Ca 0.34 -0.05 0.09 0.00 0.77 0.00 0.00 66.41 67.56 1bk4 h THR 14 Cb 0.23 0.68 -0.07 0.00 -1.74 0.00 0.00 68.15 67.25 1bk4 h THR 14 CO -0.20 0.03 0.30 -0.09 0.37 0.00 0.00 175.52 175.93 1bk4 h ARG 15 N 0.14 0.51 0.05 6.66 2.43 -1.83 0.83 114.38 123.18 1bk4 h ARG 15 Ca 0.14 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1bk4 h ARG 15 Cb 0.16 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1bk4 h ARG 15 CO -0.19 0.34 -0.03 0.35 -1.51 0.00 0.00 179.97 178.93 1bk4 h PHE 16 N 0.52 -0.07 0.00 2.20 3.04 -0.72 0.44 116.94 122.36 1bk4 h PHE 16 Ca 0.33 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.24 1bk4 h PHE 16 Cb 0.36 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.89 1bk4 h PHE 16 CO -0.13 0.05 -0.16 -0.39 -2.02 0.00 0.00 178.31 175.65 1bk4 h VAL 17 N -0.17 0.49 -0.20 1.41 -1.51 -0.28 -1.76 116.25 114.24 1bk4 h VAL 17 Ca -0.01 -0.83 -0.18 0.00 -1.23 0.00 0.00 66.70 64.45 1bk4 h VAL 17 Cb 0.14 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 1bk4 h VAL 17 CO 0.01 0.16 -0.57 -0.03 -1.23 0.00 0.00 177.57 175.91 1bk4 h MET 18 N 0.00 0.73 0.23 5.19 1.85 -0.02 -0.78 114.93 122.14 1bk4 h MET 18 Ca -0.00 -0.53 -0.01 0.00 -0.61 0.00 0.00 59.70 58.55 1bk4 h MET 18 Cb 0.56 0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.68 1bk4 h MET 18 CO 0.02 1.15 -0.11 0.93 -0.40 0.00 0.00 176.91 178.50 1bk4 h GLU 19 N 0.45 -0.30 -0.60 0.39 4.39 -0.67 -2.65 114.58 115.59 1bk4 h GLU 19 Ca -0.02 0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.83 1bk4 h GLU 19 Cb 1.19 0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 29.81 1bk4 h GLU 19 CO 0.12 -0.01 -0.05 1.49 -1.16 0.00 0.00 179.01 179.40 1bk4 h GLU 20 N -0.59 0.07 0.00 2.33 4.57 -1.34 0.29 114.58 119.90 1bk4 h GLU 20 Ca -0.03 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1bk4 h GLU 20 Cb 0.43 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1bk4 h GLU 20 CO 0.05 0.05 -0.09 0.78 -1.18 0.00 0.00 179.01 178.62 1bk4 h GLY 21 N 0.07 0.00 2.00 1.92 0.00 -1.08 -1.74 103.07 104.25 1bk4 h GLY 21 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1bk4 h GLY 21 CO -0.55 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.20 1bk4 h ARG 22 N 0.00 0.00 0.00 4.80 3.08 -0.56 0.15 114.38 121.85 1bk4 h ARG 22 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bk4 h ARG 22 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1bk4 h ARG 22 CO 0.01 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.54 1bk4 n LYS 23 N -3.00 0.00 0.28 0.04 4.76 -0.65 -3.78 118.16 115.80 1bk4 n LYS 23 Ca 0.01 0.13 0.15 0.00 -2.87 0.00 0.00 58.31 55.73 1bk4 n LYS 23 Cb 0.32 -0.85 0.71 0.00 -1.84 0.00 0.00 35.03 33.37 1bk4 n LYS 23 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bk4 h ALA 24 N -2.00 1.58 -1.51 7.82 0.00 -1.62 -3.45 119.26 120.07 1bk4 h ALA 24 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bk4 h ALA 24 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bk4 h ALA 24 CO 0.00 -0.49 0.00 0.41 0.00 0.00 0.00 179.25 179.17 1bk4 n GLY 25 N -1.31 0.54 3.75 0.00 0.00 -0.24 -5.05 105.19 102.88 1bk4 n GLY 25 Ca 0.00 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 1bk4 n GLY 25 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bk4 s GLY 26 N -2.68 1.66 0.25 -0.02 0.00 0.38 -4.91 107.32 102.00 1bk4 s GLY 26 Ca 0.00 0.22 0.26 0.00 0.00 0.00 0.00 44.72 45.20 1bk4 s GLY 26 CO 0.00 0.61 1.75 -0.91 0.00 0.00 0.00 173.10 174.55 1bk4 h THR 27 N -1.30 0.00 0.00 0.90 1.35 -1.97 -3.47 112.91 108.42 1bk4 h THR 27 Ca -0.45 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1bk4 h THR 27 Cb 1.25 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 1bk4 h THR 27 CO 0.51 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 1bk4 n GLY 28 N 1.23 0.79 0.31 5.82 0.00 -1.26 -5.00 105.19 107.08 1bk4 n GLY 28 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 1bk4 n GLY 28 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bk4 h GLU 29 N 3.09 1.06 -0.35 1.61 5.08 -1.96 -2.25 114.58 120.86 1bk4 h GLU 29 Ca 0.00 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1bk4 h GLU 29 Cb 0.00 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1bk4 h GLU 29 CO 0.00 0.77 0.23 1.98 -1.00 0.00 0.00 179.01 180.99 1bk4 h MET 30 N 1.06 0.35 -0.31 2.33 4.05 -1.94 0.39 114.93 120.86 1bk4 h MET 30 Ca 0.27 -0.02 -0.18 0.00 -0.28 0.00 0.00 59.70 59.50 1bk4 h MET 30 Cb -0.00 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 30.72 1bk4 h MET 30 CO -0.05 0.23 -0.50 1.15 0.23 0.00 0.00 176.91 177.97 1bk4 h THR 31 N 0.36 1.28 -0.52 -0.77 2.02 -1.76 0.13 112.91 113.63 1bk4 h THR 31 Ca 0.14 -1.68 -0.06 0.00 0.77 0.00 0.00 66.41 65.58 1bk4 h THR 31 Cb 0.13 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1bk4 h THR 31 CO -0.03 0.55 0.09 1.56 0.37 0.00 0.00 175.52 178.06 1bk4 h GLN 32 N 0.67 0.85 0.55 6.66 4.20 -0.97 0.29 115.11 127.36 1bk4 h GLN 32 Ca 0.02 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 1bk4 h GLN 32 Cb 1.10 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.79 1bk4 h GLN 32 CO 0.11 0.83 -0.26 1.25 -0.67 0.00 0.00 178.83 180.09 1bk4 h LEU 33 N 0.74 -0.63 -1.53 1.46 7.12 -0.89 -0.57 115.31 121.02 1bk4 h LEU 33 Ca 0.16 -0.02 -0.05 0.00 0.13 0.00 0.00 57.88 58.10 1bk4 h LEU 33 Cb 0.39 0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.67 1bk4 h LEU 33 CO 0.01 -0.37 -0.22 -0.07 -0.13 0.00 0.00 178.44 177.66 1bk4 h LEU 34 N -0.85 0.02 -0.24 2.25 3.38 -0.70 -1.40 115.31 117.77 1bk4 h LEU 34 Ca -0.08 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 1bk4 h LEU 34 Cb 0.61 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1bk4 h LEU 34 CO 0.12 0.24 -0.33 0.78 0.09 0.00 0.00 178.44 179.34 1bk4 h ASN 35 N 0.02 0.70 -0.82 -0.43 2.35 -0.65 -0.80 115.58 115.95 1bk4 h ASN 35 Ca 0.00 -0.51 -0.01 0.00 -0.55 0.00 0.00 56.30 55.23 1bk4 h ASN 35 Cb 0.40 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 1bk4 h ASN 35 CO 0.03 1.07 0.46 0.28 -1.65 0.00 0.00 177.43 177.62 1bk4 h SER 36 N 0.35 1.02 0.46 5.81 0.02 -0.89 -2.26 113.55 118.07 1bk4 h SER 36 Ca 0.03 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1bk4 h SER 36 Cb 0.91 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1bk4 h SER 36 CO 0.08 0.82 -0.22 -0.07 -1.14 0.00 0.00 176.83 176.29 1bk4 h LEU 37 N 1.14 -0.52 -1.63 5.07 3.38 -1.06 -2.54 115.31 119.15 1bk4 h LEU 37 Ca 0.29 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.47 1bk4 h LEU 37 Cb 0.01 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 1bk4 h LEU 37 CO -0.05 -0.36 0.57 0.00 0.09 0.00 0.00 178.44 178.69 1bk4 h THR 39 N 0.32 1.24 -0.52 0.00 2.02 -1.22 -0.07 112.91 114.67 1bk4 h THR 39 Ca 0.43 -0.76 0.03 0.00 0.77 0.00 0.00 66.41 66.88 1bk4 h THR 39 Cb 1.17 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 69.05 1bk4 h THR 39 CO -0.13 0.22 0.31 0.00 0.37 0.00 0.00 175.52 176.29 1bk4 h ALA 40 N 0.77 0.67 -0.55 6.16 0.00 -0.50 -1.40 119.26 124.41 1bk4 h ALA 40 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1bk4 h ALA 40 Cb 0.33 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1bk4 h ALA 40 CO 0.00 0.01 0.27 0.28 0.00 0.00 0.00 179.25 179.81 1bk4 h VAL 41 N 0.61 1.20 -0.72 0.00 2.07 -0.80 -0.50 116.25 118.11 1bk4 h VAL 41 Ca 0.21 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1bk4 h VAL 41 Cb 0.03 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1bk4 h VAL 41 CO -0.10 0.23 0.31 0.11 0.02 0.00 0.00 177.57 178.14 1bk4 h LYS 42 N 0.74 1.05 -0.47 1.57 1.57 -0.72 0.57 116.57 120.88 1bk4 h LYS 42 Ca 0.19 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1bk4 h LYS 42 Cb 0.11 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1bk4 h LYS 42 CO -0.02 0.83 0.01 0.00 -0.57 0.00 0.00 179.45 179.70 1bk4 h ALA 43 N 1.31 0.63 -0.39 3.86 0.00 -0.81 -2.72 119.26 121.14 1bk4 h ALA 43 Ca 0.24 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1bk4 h ALA 43 Cb 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1bk4 h ALA 43 CO -0.03 0.42 0.12 0.82 0.00 0.00 0.00 179.25 180.58 1bk4 h ILE 44 N 0.67 1.22 -0.69 0.00 2.04 -0.50 -1.49 117.51 118.77 1bk4 h ILE 44 Ca 0.13 -0.72 0.15 0.00 1.00 0.00 0.00 64.86 65.42 1bk4 h ILE 44 Cb 0.49 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1bk4 h ILE 44 CO 0.02 0.25 0.47 0.28 0.00 0.00 0.00 178.15 179.17 1bk4 h SER 45 N 0.49 0.26 -0.03 1.72 0.02 -0.78 0.28 113.55 115.52 1bk4 h SER 45 Ca 0.13 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1bk4 h SER 45 Cb 0.27 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1bk4 h SER 45 CO -0.00 0.14 -0.11 0.74 -1.14 0.00 0.00 176.83 176.46 1bk4 h THR 46 N 0.28 1.49 -0.44 -2.27 2.02 -1.13 -1.31 112.91 111.55 1bk4 h THR 46 Ca 0.33 -1.60 0.04 0.00 0.77 0.00 0.00 66.41 65.95 1bk4 h THR 46 Cb 0.91 2.48 -0.04 0.00 -1.74 0.00 0.00 68.15 69.76 1bk4 h THR 46 CO -0.08 0.43 0.22 0.00 0.37 0.00 0.00 175.52 176.47 1bk4 h ALA 47 N 0.38 0.56 -0.20 6.16 0.00 -0.22 -2.56 119.26 123.36 1bk4 h ALA 47 Ca -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1bk4 h ALA 47 Cb 0.76 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1bk4 h ALA 47 CO 0.02 -0.13 0.13 0.28 0.00 0.00 0.00 179.25 179.55 1bk4 h VAL 48 N 0.45 1.07 0.00 0.00 2.07 -1.06 1.47 116.25 120.25 1bk4 h VAL 48 Ca 0.19 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1bk4 h VAL 48 Cb 0.09 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1bk4 h VAL 48 CO -0.13 0.07 0.00 0.54 0.02 0.00 0.00 177.57 178.07 1bk4 n ARG 49 N -4.92 0.03 0.00 1.57 5.12 -0.49 -2.93 116.66 115.03 1bk4 n ARG 49 Ca -0.03 0.35 0.00 0.00 -1.93 0.00 0.00 57.85 56.23 1bk4 n ARG 49 Cb 0.04 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.84 1bk4 n ARG 49 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1bk4 n LYS 50 N -1.42 0.34 -2.03 5.56 5.02 -0.98 -4.99 118.16 119.66 1bk4 n LYS 50 Ca 0.02 -0.03 -0.29 0.00 -2.02 0.00 0.00 58.31 55.99 1bk4 n LYS 50 Cb 0.05 -0.30 -0.05 0.00 -0.02 0.00 0.00 35.03 34.72 1bk4 n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bk4 s ALA 51 N -0.06 1.75 0.00 7.82 0.00 0.50 -1.64 121.76 130.14 1bk4 s ALA 51 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1bk4 s ALA 51 Cb 0.00 -4.49 0.00 0.00 0.00 0.00 0.00 23.12 18.63 1bk4 s ALA 51 CO 0.00 -4.63 0.00 0.41 0.00 0.00 0.00 175.76 171.54 1bk4 n GLY 52 N 6.57 0.84 1.52 0.00 0.00 -1.26 -4.94 105.19 107.92 1bk4 n GLY 52 Ca 0.36 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.39 1bk4 n GLY 52 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1bk4 n ILE 53 N 0.00 2.02 -2.97 -0.61 -5.35 -0.65 -5.28 119.36 106.52 1bk4 n ILE 53 Ca 0.00 -1.03 -0.23 0.00 -0.27 0.00 0.00 62.75 61.22 1bk4 n ILE 53 Cb 0.00 -0.32 0.01 0.00 -1.74 0.00 0.00 39.64 37.59 1bk4 n ILE 53 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1bk4 s LYS 72 N -2.28 3.10 0.39 6.28 -0.14 -1.26 -5.06 119.74 120.77 1bk4 s LYS 72 Ca 0.40 -0.44 0.11 0.00 -1.36 0.00 0.00 55.97 54.68 1bk4 s LYS 72 Cb 0.31 -2.55 0.90 0.00 -1.68 0.00 0.00 37.83 34.81 1bk4 s LYS 72 CO 0.12 -0.26 1.93 -0.07 -0.76 0.00 0.00 175.35 176.31 1bk4 h LEU 73 N 0.39 0.53 -0.22 3.17 3.38 -2.01 -2.22 115.31 118.34 1bk4 h LEU 73 Ca -0.46 0.02 0.06 0.00 0.09 0.00 0.00 57.88 57.58 1bk4 h LEU 73 Cb 1.25 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 1bk4 h LEU 73 CO 0.58 0.30 -0.26 0.44 0.09 0.00 0.00 178.44 179.58 1bk4 h ASP 74 N 0.58 -0.84 -0.08 -0.43 5.19 -1.98 0.55 116.42 119.40 1bk4 h ASP 74 Ca 0.36 0.14 -0.13 0.00 -0.62 0.00 0.00 57.03 56.77 1bk4 h ASP 74 Cb 0.59 0.38 -0.01 0.00 0.18 0.00 0.00 39.33 40.48 1bk4 h ASP 74 CO -0.13 -0.30 -0.40 0.58 -3.12 0.00 0.00 179.24 175.88 1bk4 h VAL 75 N -0.29 1.30 -0.06 -1.35 2.07 -1.88 -0.80 116.25 115.24 1bk4 h VAL 75 Ca 0.13 -1.56 0.01 0.00 0.82 0.00 0.00 66.70 66.09 1bk4 h VAL 75 Cb 0.48 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1bk4 h VAL 75 CO -0.38 0.50 0.02 0.25 0.02 0.00 0.00 177.57 177.97 1bk4 h LEU 76 N 0.50 0.02 -0.81 2.57 5.85 -0.72 -1.45 115.31 121.26 1bk4 h LEU 76 Ca 0.04 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1bk4 h LEU 76 Cb 0.91 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 1bk4 h LEU 76 CO 0.08 0.02 0.40 0.28 -0.34 0.00 0.00 178.44 178.88 1bk4 h SER 77 N 0.05 1.05 0.02 1.25 0.02 0.18 0.93 113.55 117.05 1bk4 h SER 77 Ca 0.03 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1bk4 h SER 77 Cb 0.02 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1bk4 h SER 77 CO -0.03 0.88 -0.01 -1.13 -1.14 0.00 0.00 176.83 175.40 1bk4 h ASN 78 N 1.14 -0.02 -0.33 3.07 -0.73 -0.74 -0.42 115.58 117.56 1bk4 h ASN 78 Ca 0.28 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.42 1bk4 h ASN 78 Cb 0.10 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.68 1bk4 h ASN 78 CO -0.04 0.02 0.20 0.44 -0.37 0.00 0.00 177.43 177.69 1bk4 h ASP 79 N -0.06 0.38 0.06 1.15 3.32 -1.00 0.11 116.42 120.38 1bk4 h ASP 79 Ca -0.00 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.04 1bk4 h ASP 79 Cb 0.06 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.46 1bk4 h ASP 79 CO 0.00 0.31 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.43 1bk4 h LEU 80 N 0.43 -0.98 -0.82 1.55 3.38 -0.58 -0.13 115.31 118.15 1bk4 h LEU 80 Ca 0.12 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 1bk4 h LEU 80 Cb -0.02 0.38 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1bk4 h LEU 80 CO -0.02 -0.41 0.28 0.58 0.09 0.00 0.00 178.44 178.96 1bk4 h VAL 81 N -0.52 1.26 -0.06 1.22 2.07 -0.84 -2.09 116.25 117.29 1bk4 h VAL 81 Ca 0.05 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.73 1bk4 h VAL 81 Cb 0.58 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1bk4 h VAL 81 CO -0.24 0.34 -0.00 -0.03 0.02 0.00 0.00 177.57 177.66 1bk4 h MET 82 N 1.12 0.02 -0.46 1.57 -1.53 -0.46 -1.69 114.93 113.50 1bk4 h MET 82 Ca 0.25 -0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.48 1bk4 h MET 82 Cb 0.24 -0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.27 1bk4 h MET 82 CO -0.02 0.01 0.16 -0.91 0.14 0.00 0.00 176.91 176.30 1bk4 h ASN 83 N 0.02 0.66 -0.53 1.39 2.35 -0.78 -1.85 115.58 116.84 1bk4 h ASN 83 Ca 0.03 -0.19 -0.09 0.00 -0.55 0.00 0.00 56.30 55.50 1bk4 h ASN 83 Cb 0.03 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1bk4 h ASN 83 CO -0.05 0.67 -0.01 0.24 -1.65 0.00 0.00 177.43 176.63 1bk4 h MET 84 N 0.60 0.95 -0.05 0.81 2.86 -1.36 -2.36 114.93 116.38 1bk4 h MET 84 Ca 0.15 -0.31 0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1bk4 h MET 84 Cb 0.23 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1bk4 h MET 84 CO -0.01 0.97 -0.08 -0.07 1.06 0.00 0.00 176.91 178.78 1bk4 h LEU 85 N 0.82 -0.24 -1.05 1.22 4.07 -1.13 -2.63 115.31 116.37 1bk4 h LEU 85 Ca 0.15 0.05 0.04 0.00 0.08 0.00 0.00 57.88 58.19 1bk4 h LEU 85 Cb 0.55 0.11 -0.06 0.00 1.08 0.00 0.00 40.66 42.35 1bk4 h LEU 85 CO 0.03 -0.11 0.64 0.11 -1.08 0.00 0.00 178.44 178.03 1bk4 h LYS 86 N -0.11 1.19 0.00 1.13 1.57 -1.30 -1.91 116.57 117.14 1bk4 h LYS 86 Ca 0.05 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1bk4 h LYS 86 Cb 0.18 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1bk4 h LYS 86 CO -0.12 0.79 0.00 -1.13 -0.57 0.00 0.00 179.45 178.41 1bk4 n SER 87 N -4.45 0.00 0.25 0.86 3.41 -0.89 -2.87 113.62 109.93 1bk4 n SER 87 Ca 0.13 0.37 0.14 0.00 -0.26 0.00 0.00 58.87 59.25 1bk4 n SER 87 Cb 0.11 -0.44 0.52 0.00 -0.26 0.00 0.00 64.21 64.13 1bk4 n SER 87 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1bk4 h SER 88 N 0.00 0.00 -2.55 4.04 0.02 -1.00 -3.46 113.55 110.60 1bk4 h SER 88 Ca 0.00 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.59 1bk4 h SER 88 Cb 0.29 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.76 1bk4 h SER 88 CO 0.00 0.09 -0.42 0.49 -1.14 0.00 0.00 176.83 175.85 1bk4 n PHE 89 N -3.20 -0.80 -0.12 3.45 3.72 -1.14 -4.67 117.46 114.70 1bk4 n PHE 89 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1bk4 n PHE 89 Cb 0.39 -3.42 0.00 0.00 -0.94 0.00 0.00 39.48 35.51 1bk4 n PHE 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bk4 n ALA 90 N -1.01 2.06 -2.30 4.37 0.00 -1.26 -4.12 120.51 118.25 1bk4 n ALA 90 Ca -0.20 -0.64 -0.16 0.00 0.00 0.00 0.00 53.44 52.44 1bk4 n ALA 90 Cb 0.64 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.99 1bk4 n ALA 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1bk4 s THR 91 N -0.35 0.95 0.00 0.00 -4.23 -1.26 -1.58 115.64 109.17 1bk4 s THR 91 Ca 0.00 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1bk4 s THR 91 Cb 0.00 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.60 1bk4 s THR 91 CO 0.00 -0.40 0.00 0.00 -0.54 0.00 0.00 174.62 173.68 1bk4 s VAL 93 N -0.65 -0.04 -0.17 0.00 1.01 -1.24 -1.20 120.40 118.11 1bk4 s VAL 93 Ca 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 1bk4 s VAL 93 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 36.38 36.20 1bk4 s VAL 93 CO 0.00 0.17 -0.13 -0.76 0.00 0.00 0.00 175.10 174.38 1bk4 s LEU 94 N 1.91 2.57 -0.21 3.92 1.02 -0.10 -1.25 118.68 126.54 1bk4 s LEU 94 Ca 0.02 -0.45 0.01 0.00 0.02 0.00 0.00 54.13 53.73 1bk4 s LEU 94 Cb -0.12 -1.60 0.03 0.00 0.02 0.00 0.00 46.19 44.52 1bk4 s LEU 94 CO -0.03 0.07 -0.16 -0.69 0.02 0.00 0.00 176.35 175.55 1bk4 s VAL 95 N 0.94 2.20 0.15 -1.59 1.01 -0.82 0.19 120.40 122.48 1bk4 s VAL 95 Ca -0.02 -1.11 0.10 0.00 0.00 0.00 0.00 61.98 60.94 1bk4 s VAL 95 Cb -0.15 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1bk4 s VAL 95 CO -0.01 0.36 -0.21 -0.55 0.00 0.00 0.00 175.10 174.69 1bk4 s SER 96 N 1.25 3.67 0.40 3.32 0.15 -1.26 -0.82 113.70 120.42 1bk4 s SER 96 Ca 0.01 -0.69 0.08 0.00 0.70 0.00 0.00 55.95 56.05 1bk4 s SER 96 Cb -0.15 -0.41 0.83 0.00 -1.71 0.00 0.00 66.02 64.58 1bk4 s SER 96 CO -0.10 0.15 2.00 -0.08 1.20 0.00 0.00 173.24 176.41 1bk4 h GLU 97 N 3.52 0.41 0.00 5.44 4.81 -1.71 -2.08 114.58 124.97 1bk4 h GLU 97 Ca -0.49 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1bk4 h GLU 97 Cb 1.18 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1bk4 h GLU 97 CO 0.46 0.36 0.00 0.39 -0.73 0.00 0.00 179.01 179.49 1bk4 n GLU 98 N -4.40 0.88 -4.71 1.92 -0.58 -1.26 -4.80 120.64 107.69 1bk4 n GLU 98 Ca 0.01 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.50 1bk4 n GLU 98 Cb 0.15 -1.30 -0.16 0.00 -0.57 0.00 0.00 31.44 29.55 1bk4 n GLU 98 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1bk4 s ASP 99 N -1.65 1.97 0.15 1.62 1.11 -0.78 -5.03 116.67 114.05 1bk4 s ASP 99 Ca 0.25 -0.33 -0.18 0.00 0.18 0.00 0.00 52.55 52.47 1bk4 s ASP 99 Cb 0.12 -0.78 0.03 0.00 1.07 0.00 0.00 42.92 43.36 1bk4 s ASP 99 CO 0.20 0.08 1.69 0.11 1.18 0.00 0.00 175.17 178.43 1bk4 h LYS 100 N 6.69 0.01 -5.82 8.23 1.57 -1.87 -3.44 116.57 121.95 1bk4 h LYS 100 Ca -0.30 -0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.89 1bk4 h LYS 100 Cb 1.19 -0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.40 1bk4 h LYS 100 CO 0.48 0.01 -0.50 -0.80 -0.57 0.00 0.00 179.45 178.07 1bk4 s ASN 101 N -5.21 4.35 0.59 0.86 -0.87 -1.26 -4.97 114.94 108.42 1bk4 s ASN 101 Ca -0.14 -1.17 -0.14 0.00 -1.57 0.00 0.00 52.86 49.84 1bk4 s ASN 101 Cb 0.12 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.25 40.98 1bk4 s ASN 101 CO 0.70 -0.59 1.03 0.00 -2.57 0.00 0.00 177.10 175.66 1bk4 s ALA 102 N -2.65 2.90 -0.18 0.60 0.00 -1.26 -4.76 121.76 116.41 1bk4 s ALA 102 Ca 0.37 0.19 -0.06 0.00 0.00 0.00 0.00 51.96 52.46 1bk4 s ALA 102 Cb 0.04 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 1bk4 s ALA 102 CO 0.20 -0.67 0.01 0.42 0.00 0.00 0.00 175.76 175.73 1bk4 s ILE 103 N -2.74 4.28 -0.25 0.00 -1.09 0.13 -4.96 121.20 116.57 1bk4 s ILE 103 Ca 0.60 -0.21 -0.14 0.00 -2.23 0.00 0.00 60.65 58.66 1bk4 s ILE 103 Cb -0.13 -2.92 -0.04 0.00 -1.58 0.00 0.00 42.46 37.80 1bk4 s ILE 103 CO 0.41 0.46 0.34 -0.63 -1.23 0.00 0.00 174.94 174.29 1bk4 s ILE 104 N 0.56 5.21 0.29 2.92 -1.09 -1.26 -0.92 121.20 126.90 1bk4 s ILE 104 Ca 0.00 0.52 -0.29 0.00 -2.23 0.00 0.00 60.65 58.66 1bk4 s ILE 104 Cb -0.14 -3.67 -0.09 0.00 -1.58 0.00 0.00 42.46 36.98 1bk4 s ILE 104 CO 0.02 0.21 1.03 -0.69 -1.23 0.00 0.00 174.94 174.28 1bk4 s VAL 105 N 1.76 3.75 0.46 2.92 1.01 -0.34 -5.00 120.40 124.96 1bk4 s VAL 105 Ca 0.14 1.68 -0.22 0.00 0.00 0.00 0.00 61.98 63.58 1bk4 s VAL 105 Cb -0.15 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.09 1bk4 s VAL 105 CO 0.09 0.34 0.86 -0.62 0.00 0.00 0.00 175.10 175.77 1bk4 n GLU 106 N 1.07 1.04 -0.30 2.72 4.71 -1.26 -4.69 120.64 123.92 1bk4 n GLU 106 Ca -0.00 0.38 0.08 0.00 -0.01 0.00 0.00 57.16 57.61 1bk4 n GLU 106 Cb 0.46 -1.92 0.24 0.00 -1.01 0.00 0.00 31.44 29.22 1bk4 n GLU 106 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1bk4 h PRO 107 N 1.10 0.61 -0.03 3.49 0.11 -1.96 0.57 132.00 135.89 1bk4 h PRO 107 Ca -0.44 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1bk4 h PRO 107 Cb 1.36 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1bk4 h PRO 107 CO 0.54 0.40 -0.42 0.93 -0.21 0.00 0.00 178.00 179.24 1bk4 h GLU 108 N 0.63 0.06 -0.31 1.05 3.07 -2.02 -2.73 114.58 114.34 1bk4 h GLU 108 Ca 0.48 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 1bk4 h GLU 108 Cb 0.70 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1bk4 h GLU 108 CO -0.37 0.47 0.00 1.63 -1.40 0.00 0.00 179.01 179.34 1bk4 n LYS 109 N -4.03 2.38 -1.87 2.33 5.02 -0.59 -5.00 118.16 116.40 1bk4 n LYS 109 Ca -0.02 -2.16 -0.39 0.00 -2.02 0.00 0.00 58.31 53.72 1bk4 n LYS 109 Cb 0.46 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 34.01 1bk4 n LYS 109 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1bk4 s ARG 110 N -1.51 3.54 0.23 1.97 3.52 0.09 -3.84 118.95 122.96 1bk4 s ARG 110 Ca 0.35 2.27 0.01 0.00 -0.13 0.00 0.00 55.73 58.23 1bk4 s ARG 110 Cb 0.21 -2.51 -0.00 0.00 -1.56 0.00 0.00 34.95 31.08 1bk4 s ARG 110 CO 0.30 -0.88 0.28 0.41 -0.81 0.00 0.00 175.30 174.60 1bk4 n GLY 111 N 0.63 2.76 0.19 8.12 0.00 0.89 -4.64 105.19 113.15 1bk4 n GLY 111 Ca 0.07 -1.65 0.14 0.00 0.00 0.00 0.00 46.02 44.59 1bk4 n GLY 111 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1bk4 n LYS 112 N -0.41 0.99 -4.13 1.61 2.85 -1.21 -3.23 118.16 114.64 1bk4 n LYS 112 Ca 0.02 -0.39 -0.28 0.00 -1.05 0.00 0.00 58.31 56.62 1bk4 n LYS 112 Cb 0.40 -1.49 -0.07 0.00 -0.65 0.00 0.00 35.03 33.22 1bk4 n LYS 112 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1bk4 s TYR 113 N -2.28 3.01 -0.18 5.58 2.02 -0.62 -1.57 117.35 123.32 1bk4 s TYR 113 Ca 0.34 -0.05 -0.03 0.00 -0.37 0.00 0.00 57.07 56.96 1bk4 s TYR 113 Cb 0.21 -1.48 -0.01 0.00 -0.40 0.00 0.00 41.96 40.27 1bk4 s TYR 113 CO 0.43 0.51 -0.07 0.08 -1.57 0.00 0.00 175.55 174.93 1bk4 s VAL 114 N -1.61 3.36 -0.09 0.71 1.01 0.11 -0.18 120.40 123.72 1bk4 s VAL 114 Ca 0.28 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1bk4 s VAL 114 Cb -0.10 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.80 1bk4 s VAL 114 CO 0.20 0.47 -0.15 0.54 0.00 0.00 0.00 175.10 176.16 1bk4 s VAL 115 N 0.93 1.41 -0.19 2.92 0.11 -0.38 -1.03 120.40 124.19 1bk4 s VAL 115 Ca -0.01 -0.62 -0.08 0.00 -2.93 0.00 0.00 61.98 58.34 1bk4 s VAL 115 Cb -0.15 -1.28 -0.04 0.00 -1.53 0.00 0.00 36.38 33.38 1bk4 s VAL 115 CO 0.00 0.42 0.07 0.00 -3.33 0.00 0.00 175.10 172.26 1bk4 s PHE 117 N 0.41 -0.00 -0.34 0.00 -0.71 0.00 -0.14 117.98 117.21 1bk4 s PHE 117 Ca 0.03 -0.26 0.03 0.00 -1.04 0.00 0.00 56.93 55.69 1bk4 s PHE 117 Cb -0.12 0.04 0.10 0.00 -1.21 0.00 0.00 43.02 41.83 1bk4 s PHE 117 CO 0.00 -0.52 0.07 0.34 -1.34 0.00 0.00 175.22 173.77 1bk4 s ASP 118 N -2.38 4.57 0.14 1.98 2.15 0.47 -1.64 116.67 121.96 1bk4 s ASP 118 Ca -0.01 -2.06 -0.24 0.00 0.43 0.00 0.00 52.55 50.67 1bk4 s ASP 118 Cb 0.01 -1.44 -0.00 0.00 -0.30 0.00 0.00 42.92 41.19 1bk4 s ASP 118 CO -0.07 -0.38 1.62 1.55 -0.17 0.00 0.00 175.17 177.72 1bk4 h PRO 119 N 7.69 -0.31 -2.89 4.34 0.13 -1.88 0.16 132.00 139.24 1bk4 h PRO 119 Ca -0.06 0.02 -0.52 0.00 -0.87 0.00 0.00 66.00 64.57 1bk4 h PRO 119 Cb 1.02 0.07 -0.40 0.00 0.13 0.00 0.00 31.00 31.81 1bk4 h PRO 119 CO 0.51 -0.21 -0.77 -1.17 -0.23 0.00 0.00 178.00 176.13 1bk4 s LEU 120 N -10.45 0.63 -0.03 1.56 2.96 -1.26 -4.09 118.68 108.00 1bk4 s LEU 120 Ca -0.15 -1.20 -0.08 0.00 -0.22 0.00 0.00 54.13 52.49 1bk4 s LEU 120 Cb 0.11 -0.37 -0.05 0.00 0.50 0.00 0.00 46.19 46.38 1bk4 s LEU 120 CO 0.67 -0.42 0.25 -0.62 -1.32 0.00 0.00 176.35 174.91 1bk4 s ASP 121 N 2.07 6.50 0.00 3.68 2.15 0.96 -4.06 116.67 127.98 1bk4 s ASP 121 Ca 0.08 0.58 0.00 0.00 0.43 0.00 0.00 52.55 53.64 1bk4 s ASP 121 Cb -0.16 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 1bk4 s ASP 121 CO -0.31 0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.60 1bk4 n GLY 122 N 1.43 0.62 0.00 2.66 0.00 -1.26 -1.42 105.19 107.22 1bk4 n GLY 122 Ca -0.14 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 45.72 1bk4 n GLY 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bk4 n SER 123 N 0.32 0.00 -0.04 1.61 3.41 -1.26 -2.91 113.62 114.75 1bk4 n SER 123 Ca 0.00 0.18 -0.01 0.00 -0.26 0.00 0.00 58.87 58.77 1bk4 n SER 123 Cb 0.00 -0.22 -0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1bk4 n SER 123 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1bk4 h SER 124 N 0.00 0.00 -0.15 4.04 0.02 -1.92 -3.37 113.55 112.17 1bk4 h SER 124 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1bk4 h SER 124 Cb 0.02 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1bk4 h SER 124 CO 0.00 0.42 0.06 -0.46 -1.14 0.00 0.00 176.83 175.71 1bk4 n ASN 125 N -3.86 2.51 -0.22 3.07 6.94 -1.15 -4.47 115.26 118.08 1bk4 n ASN 125 Ca -0.02 -2.24 0.22 0.00 -0.02 0.00 0.00 54.58 52.52 1bk4 n ASN 125 Cb 0.08 -0.55 0.59 0.00 -2.36 0.00 0.00 39.78 37.54 1bk4 n ASN 125 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 1bk4 h ILE 126 N 0.47 0.63 -0.28 1.53 -0.00 -1.70 -2.82 117.51 115.34 1bk4 h ILE 126 Ca 0.06 -0.09 -0.01 0.00 -0.00 0.00 0.00 64.86 64.82 1bk4 h ILE 126 Cb 1.06 0.35 -0.01 0.00 -0.00 0.00 0.00 36.82 38.22 1bk4 h ILE 126 CO 0.15 0.05 0.14 0.44 -0.00 0.00 0.00 178.15 178.92 1bk4 h ASP 127 N 0.26 0.36 0.00 2.16 3.32 -1.92 -2.87 116.42 117.73 1bk4 h ASP 127 Ca 0.45 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1bk4 h ASP 127 Cb 1.35 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1bk4 h ASP 127 CO -0.12 0.38 0.00 0.00 -1.72 0.00 0.00 179.24 177.77 1bk4 n LEU 129 N -0.11 -0.13 -4.56 0.00 4.77 -1.08 -4.92 117.00 110.96 1bk4 n LEU 129 Ca 0.00 0.23 -0.40 0.00 -0.03 0.00 0.00 56.01 55.81 1bk4 n LEU 129 Cb 0.04 -2.64 -0.03 0.00 -2.33 0.00 0.00 43.42 38.46 1bk4 n LEU 129 CO 0.00 -1.03 1.52 0.68 -1.33 0.00 0.00 177.39 177.23 1bk4 s VAL 130 N -1.80 3.46 0.00 4.08 -7.23 -1.26 -4.78 120.40 112.87 1bk4 s VAL 130 Ca 0.00 0.33 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 1bk4 s VAL 130 Cb 0.00 -4.01 0.00 0.00 0.56 0.00 0.00 36.38 32.93 1bk4 s VAL 130 CO 0.00 -0.91 0.00 -1.20 -0.31 0.00 0.00 175.10 172.68 1bk4 n SER 131 N 11.71 0.00 -4.80 4.85 7.64 -1.26 -4.79 113.62 126.97 1bk4 n SER 131 Ca 0.19 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.85 1bk4 n SER 131 Cb 0.51 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.79 1bk4 n SER 131 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1bk4 s ILE 132 N 0.00 2.19 0.07 0.44 -4.36 -1.26 -3.79 121.20 114.49 1bk4 s ILE 132 Ca 0.00 -0.73 -0.20 0.00 -0.26 0.00 0.00 60.65 59.47 1bk4 s ILE 132 Cb 0.00 -2.46 0.07 0.00 1.25 0.00 0.00 42.46 41.31 1bk4 s ILE 132 CO 0.00 0.00 0.93 0.61 0.24 0.00 0.00 174.94 176.72 1bk4 n GLY 133 N -2.61 0.53 3.36 6.27 0.00 -0.51 -1.49 105.19 110.74 1bk4 n GLY 133 Ca 0.15 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 1bk4 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bk4 s THR 134 N -2.10 2.37 -0.01 2.61 2.01 -0.82 -0.02 115.64 119.67 1bk4 s THR 134 Ca 0.21 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.28 1bk4 s THR 134 Cb -0.02 -1.86 -0.01 0.00 0.01 0.00 0.00 72.50 70.62 1bk4 s THR 134 CO 0.02 0.58 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.74 1bk4 s ILE 135 N -0.60 1.32 0.05 1.82 1.01 0.04 -0.91 121.20 123.93 1bk4 s ILE 135 Ca 0.09 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 59.94 1bk4 s ILE 135 Cb -0.11 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.27 1bk4 s ILE 135 CO -0.00 0.37 0.19 0.72 0.00 0.00 0.00 174.94 176.23 1bk4 s PHE 136 N -0.37 0.07 -0.01 3.97 -0.71 -0.89 -0.40 117.98 119.63 1bk4 s PHE 136 Ca 0.06 -0.31 -0.00 0.00 -1.04 0.00 0.00 56.93 55.64 1bk4 s PHE 136 Cb -0.07 -0.03 0.01 0.00 -1.21 0.00 0.00 43.02 41.72 1bk4 s PHE 136 CO -0.01 -0.44 0.01 0.20 -1.34 0.00 0.00 175.22 173.65 1bk4 s GLY 137 N -2.18 0.04 -0.12 1.99 0.00 0.81 -2.60 107.32 105.25 1bk4 s GLY 137 Ca -0.04 0.13 0.03 0.00 0.00 0.00 0.00 44.72 44.84 1bk4 s GLY 137 CO -0.05 0.28 -0.21 -0.42 0.00 0.00 0.00 173.10 172.71 1bk4 s ILE 138 N 0.43 2.24 0.15 0.90 1.01 -0.35 -0.85 121.20 124.74 1bk4 s ILE 138 Ca -0.04 -0.93 0.11 0.00 0.00 0.00 0.00 60.65 59.79 1bk4 s ILE 138 Cb -0.05 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1bk4 s ILE 138 CO -0.01 0.55 -0.24 -0.31 0.00 0.00 0.00 174.94 174.92 1bk4 s TYR 139 N 0.57 2.35 -0.07 3.97 2.02 -0.19 -0.37 117.35 125.63 1bk4 s TYR 139 Ca -0.12 -0.35 -0.16 0.00 -0.37 0.00 0.00 57.07 56.06 1bk4 s TYR 139 Cb -0.17 -1.23 -0.05 0.00 -0.40 0.00 0.00 41.96 40.11 1bk4 s TYR 139 CO 0.04 0.40 0.43 0.50 -1.57 0.00 0.00 175.55 175.35 1bk4 s ARG 140 N -2.28 4.17 0.38 -0.62 3.00 -1.26 -0.71 118.95 121.63 1bk4 s ARG 140 Ca 0.17 0.40 -0.27 0.00 -1.00 0.00 0.00 55.73 55.03 1bk4 s ARG 140 Cb -0.09 -3.35 -0.09 0.00 0.00 0.00 0.00 34.95 31.42 1bk4 s ARG 140 CO 0.08 0.39 1.31 0.21 0.00 0.00 0.00 175.30 177.29 1bk4 s LYS 141 N -0.10 4.08 -0.18 5.12 2.20 -0.61 -4.87 119.74 125.38 1bk4 s LYS 141 Ca 0.24 2.19 -0.03 0.00 -0.36 0.00 0.00 55.97 58.00 1bk4 s LYS 141 Cb -0.16 -2.85 -0.10 0.00 -1.51 0.00 0.00 37.83 33.21 1bk4 s LYS 141 CO 0.11 -0.41 -0.20 1.63 -0.36 0.00 0.00 175.35 176.12 1bk4 n LYS 142 N 0.32 0.43 -2.15 4.03 5.02 -1.26 -5.02 118.16 119.54 1bk4 n LYS 142 Ca 0.03 0.14 -0.40 0.00 -2.02 0.00 0.00 58.31 56.05 1bk4 n LYS 142 Cb 0.43 -1.28 -0.02 0.00 -0.02 0.00 0.00 35.03 34.13 1bk4 n LYS 142 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1bk4 s SER 143 N -6.16 6.77 0.40 4.39 1.04 -1.26 -4.94 113.70 113.94 1bk4 s SER 143 Ca -0.25 2.64 0.21 0.00 0.48 0.00 0.00 55.95 59.03 1bk4 s SER 143 Cb 0.08 -2.65 0.65 0.00 0.10 0.00 0.00 66.02 64.21 1bk4 s SER 143 CO 0.38 -0.53 1.71 0.71 0.98 0.00 0.00 173.24 176.49 1bk4 h THR 144 N 2.97 0.60 -3.51 2.02 1.35 -2.06 -3.46 112.91 110.82 1bk4 h THR 144 Ca -0.49 -1.40 -0.41 0.00 -0.55 0.00 0.00 66.41 63.56 1bk4 h THR 144 Cb 1.23 1.95 0.20 0.00 -1.73 0.00 0.00 68.15 69.80 1bk4 h THR 144 CO 0.65 0.28 0.18 1.51 -0.25 0.00 0.00 175.52 177.90 1bk4 s ASP 145 N -6.27 0.99 0.27 5.36 -4.77 -1.26 -4.97 116.67 106.02 1bk4 s ASP 145 Ca 0.02 0.42 -0.30 0.00 -3.30 0.00 0.00 52.55 49.39 1bk4 s ASP 145 Cb 0.09 -0.52 -0.13 0.00 -1.09 0.00 0.00 42.92 41.27 1bk4 s ASP 145 CO 0.67 -4.06 1.40 -0.62 0.70 0.00 0.00 175.17 173.26 1bk4 n GLU 146 N -4.68 2.14 -1.68 2.11 -0.58 -1.26 -4.92 120.64 111.77 1bk4 n GLU 146 Ca 0.16 0.76 -0.39 0.00 -0.42 0.00 0.00 57.16 57.26 1bk4 n GLU 146 Cb 0.60 -2.41 0.03 0.00 -0.57 0.00 0.00 31.44 29.09 1bk4 n GLU 146 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1bk4 n PRO 147 N 1.66 1.48 -3.82 3.49 -0.02 -1.26 -4.99 135.00 131.53 1bk4 n PRO 147 Ca 0.09 0.54 -0.08 0.00 -2.02 0.00 0.00 63.50 62.04 1bk4 n PRO 147 Cb 0.33 -2.35 0.01 0.00 -0.02 0.00 0.00 33.50 31.48 1bk4 n PRO 147 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1bk4 s SER 148 N -0.89 -0.08 0.50 2.55 1.04 -1.26 -5.01 113.70 110.54 1bk4 s SER 148 Ca 0.69 -0.97 0.24 0.00 0.48 0.00 0.00 55.95 56.39 1bk4 s SER 148 Cb -0.46 0.81 1.31 0.00 0.10 0.00 0.00 66.02 67.78 1bk4 s SER 148 CO 0.52 -1.58 1.93 0.74 0.98 0.00 0.00 173.24 175.83 1bk4 h THR 149 N 2.00 0.69 -0.71 2.02 2.02 -1.94 -0.98 112.91 116.00 1bk4 h THR 149 Ca -0.28 -0.05 0.13 0.00 0.77 0.00 0.00 66.41 66.98 1bk4 h THR 149 Cb 1.25 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 1bk4 h THR 149 CO 0.35 0.02 0.48 0.07 0.37 0.00 0.00 175.52 176.81 1bk4 h LYS 150 N 0.14 0.45 0.00 6.66 2.10 -1.95 0.14 116.57 124.10 1bk4 h LYS 150 Ca 0.35 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.95 1bk4 h LYS 150 Cb 1.18 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1bk4 h LYS 150 CO -0.05 0.30 -0.13 -0.44 -2.00 0.00 0.00 179.45 177.13 1bk4 h ASP 151 N 0.46 0.00 1.04 7.07 3.32 -1.58 -1.42 116.42 125.31 1bk4 h ASP 151 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1bk4 h ASP 151 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1bk4 h ASP 151 CO -0.11 0.13 -0.23 0.00 -1.72 0.00 0.00 179.24 177.31 1bk4 n ALA 152 N -2.49 2.65 -2.62 3.45 0.00 0.46 -4.38 120.51 117.58 1bk4 n ALA 152 Ca -0.03 -0.15 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 1bk4 n ALA 152 Cb 0.20 -1.34 0.01 0.00 0.00 0.00 0.00 19.45 18.32 1bk4 n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bk4 n LEU 153 N -1.89 6.95 -4.44 0.00 4.77 -0.54 -4.97 117.00 116.88 1bk4 n LEU 153 Ca 0.05 -5.08 -0.30 0.00 -0.03 0.00 0.00 56.01 50.66 1bk4 n LEU 153 Cb 0.39 -1.31 -0.12 0.00 -2.33 0.00 0.00 43.42 40.05 1bk4 n LEU 153 CO 0.32 1.76 -0.52 -1.10 -1.33 0.00 0.00 177.39 176.52 1bk4 s GLN 154 N -2.20 1.75 0.49 3.23 -0.21 -1.26 -4.67 119.66 116.78 1bk4 s GLN 154 Ca 0.38 -1.17 -0.23 0.00 0.02 0.00 0.00 55.36 54.36 1bk4 s GLN 154 Cb 0.11 -2.06 -0.07 0.00 1.00 0.00 0.00 33.01 32.00 1bk4 s GLN 154 CO 0.00 0.49 1.23 -1.25 -2.12 0.00 0.00 175.29 173.64 1bk4 s PRO 155 N -1.86 3.57 0.56 2.91 0.04 -1.26 -4.69 135.00 134.26 1bk4 s PRO 155 Ca 0.15 1.93 0.32 0.00 0.04 0.00 0.00 61.00 63.44 1bk4 s PRO 155 Cb -0.10 -2.37 1.47 0.00 0.04 0.00 0.00 34.50 33.53 1bk4 s PRO 155 CO 0.07 -0.75 1.83 0.78 0.04 0.00 0.00 177.00 178.97 1bk4 h GLY 156 N 1.88 0.00 2.00 0.56 0.00 -1.62 0.25 103.07 106.14 1bk4 h GLY 156 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1bk4 h GLY 156 CO 0.59 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 175.00 1bk4 n ARG 157 N -4.01 0.10 -0.00 4.80 0.63 -0.24 -1.52 116.66 116.41 1bk4 n ARG 157 Ca 0.17 0.48 0.14 0.00 -0.92 0.00 0.00 57.85 57.73 1bk4 n ARG 157 Cb 0.98 -1.75 0.59 0.00 0.45 0.00 0.00 32.46 32.72 1bk4 n ARG 157 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1bk4 n ASN 158 N -1.95 1.26 -4.77 6.15 3.02 0.88 -4.94 115.26 114.92 1bk4 n ASN 158 Ca 0.01 -1.43 -0.39 0.00 -0.03 0.00 0.00 54.58 52.73 1bk4 n ASN 158 Cb 0.10 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1bk4 n ASN 158 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1bk4 s LEU 159 N -1.98 4.18 -0.01 3.41 1.43 -0.58 -4.57 118.68 120.55 1bk4 s LEU 159 Ca 0.39 2.70 0.17 0.00 -1.03 0.00 0.00 54.13 56.36 1bk4 s LEU 159 Cb 0.21 -3.93 -0.22 0.00 0.03 0.00 0.00 46.19 42.28 1bk4 s LEU 159 CO 0.34 -0.94 0.53 1.33 0.23 0.00 0.00 176.35 177.84 1bk4 n VAL 160 N 0.01 0.00 -3.49 -1.59 0.24 0.50 -5.00 118.33 109.00 1bk4 n VAL 160 Ca 0.04 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 61.95 1bk4 n VAL 160 Cb 0.43 0.54 -0.04 0.00 -1.47 0.00 0.00 33.84 33.30 1bk4 n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bk4 s ALA 161 N -2.88 -1.74 -0.03 2.33 0.00 -1.18 -4.16 121.76 114.10 1bk4 s ALA 161 Ca -0.00 1.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.68 1bk4 s ALA 161 Cb 0.12 0.30 0.10 0.00 0.00 0.00 0.00 23.12 23.63 1bk4 s ALA 161 CO 0.69 -0.55 0.87 0.00 0.00 0.00 0.00 175.76 176.76 1bk4 s ALA 162 N -2.39 -1.82 0.00 0.00 0.00 -0.92 -1.21 121.76 115.41 1bk4 s ALA 162 Ca -0.03 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1bk4 s ALA 162 Cb -0.01 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1bk4 s ALA 162 CO -0.02 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.57 1bk4 n GLY 163 N 0.09 -1.39 3.63 0.00 0.00 -1.07 0.05 105.19 106.50 1bk4 n GLY 163 Ca -0.11 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 1bk4 n GLY 163 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bk4 s TYR 164 N -2.60 0.15 -0.07 1.61 -0.85 -0.66 -2.10 117.35 112.83 1bk4 s TYR 164 Ca 0.00 -0.54 0.04 0.00 -0.52 0.00 0.00 57.07 56.05 1bk4 s TYR 164 Cb 0.00 0.33 0.00 0.00 0.38 0.00 0.00 41.96 42.68 1bk4 s TYR 164 CO 0.00 -1.03 -0.19 0.00 -1.52 0.00 0.00 175.55 172.81 1bk4 s ALA 165 N -3.97 1.75 -0.24 9.51 0.00 -0.09 -1.04 121.76 127.69 1bk4 s ALA 165 Ca 0.17 -0.75 -0.07 0.00 0.00 0.00 0.00 51.96 51.32 1bk4 s ALA 165 Cb -0.02 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 1bk4 s ALA 165 CO 0.06 0.25 0.05 -1.17 0.00 0.00 0.00 175.76 174.95 1bk4 s LEU 166 N 0.30 3.34 -1.02 0.00 2.96 -0.11 -1.95 118.68 122.20 1bk4 s LEU 166 Ca -0.12 -0.23 -0.15 0.00 -0.22 0.00 0.00 54.13 53.41 1bk4 s LEU 166 Cb -0.15 -1.89 0.19 0.00 0.50 0.00 0.00 46.19 44.84 1bk4 s LEU 166 CO 0.05 -0.02 1.14 -0.31 -1.32 0.00 0.00 176.35 175.89 1bk4 s TYR 167 N 1.52 3.57 0.00 5.38 2.02 -0.55 -1.58 117.35 127.71 1bk4 s TYR 167 Ca 0.06 -1.97 0.00 0.00 -0.37 0.00 0.00 57.07 54.79 1bk4 s TYR 167 Cb -0.15 -4.12 0.00 0.00 -0.40 0.00 0.00 41.96 37.30 1bk4 s TYR 167 CO 0.02 -1.26 0.00 0.41 -1.57 0.00 0.00 175.55 173.15 1bk4 n GLY 168 N 4.28 5.25 0.57 0.71 0.00 -1.26 -4.12 105.19 110.62 1bk4 n GLY 168 Ca 0.26 -1.52 0.41 0.00 0.00 0.00 0.00 46.02 45.17 1bk4 n GLY 168 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1bk4 h SER 169 N 0.00 0.09 -5.14 1.61 0.02 -1.95 -3.38 113.55 104.80 1bk4 h SER 169 Ca 0.00 0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 1bk4 h SER 169 Cb 0.00 0.03 -0.17 0.00 0.14 0.00 0.00 62.40 62.40 1bk4 h SER 169 CO 0.00 -0.04 -0.64 0.00 -1.14 0.00 0.00 176.83 175.02 1bk4 s ALA 170 N -5.05 0.26 -0.21 3.77 0.00 -1.26 -5.14 121.76 114.13 1bk4 s ALA 170 Ca -0.06 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 50.86 1bk4 s ALA 170 Cb 0.26 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 1bk4 s ALA 170 CO 0.84 -0.31 0.37 0.99 0.00 0.00 0.00 175.76 177.65 1bk4 s THR 171 N -3.03 5.21 0.18 0.00 2.01 -1.26 -4.56 115.64 114.19 1bk4 s THR 171 Ca -0.01 0.64 0.09 0.00 0.31 0.00 0.00 61.69 62.72 1bk4 s THR 171 Cb 0.01 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 1bk4 s THR 171 CO -0.07 0.25 -0.13 -0.04 -0.69 0.00 0.00 174.62 173.94 1bk4 s MET 172 N 1.38 1.91 -0.07 4.92 -1.94 -0.61 -0.74 119.30 124.15 1bk4 s MET 172 Ca 0.17 -1.33 -0.02 0.00 -1.71 0.00 0.00 55.69 52.81 1bk4 s MET 172 Cb -0.15 -2.08 0.03 0.00 2.01 0.00 0.00 34.83 34.64 1bk4 s MET 172 CO 0.08 0.43 0.02 -1.17 -0.01 0.00 0.00 175.02 174.37 1bk4 s LEU 173 N -2.76 0.46 -0.19 -0.03 0.20 0.11 -0.93 118.68 115.54 1bk4 s LEU 173 Ca 0.24 -0.07 -0.07 0.00 0.69 0.00 0.00 54.13 54.91 1bk4 s LEU 173 Cb -0.09 -0.35 -0.04 0.00 -0.43 0.00 0.00 46.19 45.29 1bk4 s LEU 173 CO 0.14 -0.22 0.04 -0.69 -0.29 0.00 0.00 176.35 175.33 1bk4 s VAL 174 N 2.03 4.49 -0.05 1.68 1.01 -0.20 -0.21 120.40 129.16 1bk4 s VAL 174 Ca 0.05 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1bk4 s VAL 174 Cb -0.12 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1bk4 s VAL 174 CO -0.05 0.44 -0.14 -0.22 0.00 0.00 0.00 175.10 175.13 1bk4 s LEU 175 N 0.63 1.80 -0.32 3.92 0.20 -0.80 -1.66 118.68 122.47 1bk4 s LEU 175 Ca 0.02 -0.31 0.00 0.00 0.69 0.00 0.00 54.13 54.54 1bk4 s LEU 175 Cb -0.13 -0.85 0.07 0.00 -0.43 0.00 0.00 46.19 44.85 1bk4 s LEU 175 CO 0.02 0.09 0.02 0.00 -0.29 0.00 0.00 176.35 176.19 1bk4 s ALA 176 N 0.29 2.83 0.37 5.97 0.00 0.11 -1.34 121.76 129.99 1bk4 s ALA 176 Ca -0.08 -2.06 0.02 0.00 0.00 0.00 0.00 51.96 49.85 1bk4 s ALA 176 Cb -0.13 -1.94 0.05 0.00 0.00 0.00 0.00 23.12 21.10 1bk4 s ALA 176 CO 0.03 -1.43 0.37 0.41 0.00 0.00 0.00 175.76 175.14 1bk4 n GLY 177 N 4.49 1.43 1.18 0.00 0.00 -0.80 -2.17 105.19 109.32 1bk4 n GLY 177 Ca -0.08 -2.09 -0.02 0.00 0.00 0.00 0.00 46.02 43.83 1bk4 n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bk4 n GLY 178 N 1.91 2.30 0.00 -0.02 0.00 -1.26 -3.07 105.19 105.05 1bk4 n GLY 178 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1bk4 n GLY 178 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bk4 n SER 179 N 0.54 0.00 0.00 1.61 3.41 -1.26 -5.15 113.62 112.77 1bk4 n SER 179 Ca 0.05 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 1bk4 n SER 179 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1bk4 n SER 179 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bk4 n GLY 180 N 0.00 1.38 3.51 5.00 0.00 -1.17 -4.96 105.19 108.95 1bk4 n GLY 180 Ca 0.00 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.72 1bk4 n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bk4 s VAL 181 N -1.18 3.77 -0.02 1.61 1.01 -1.26 -1.91 120.40 122.42 1bk4 s VAL 181 Ca 0.00 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1bk4 s VAL 181 Cb 0.00 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 1bk4 s VAL 181 CO 0.00 0.53 -0.11 0.20 0.00 0.00 0.00 175.10 175.72 1bk4 s ASN 182 N 0.01 1.40 -0.19 3.32 0.01 -0.45 0.54 114.94 119.58 1bk4 s ASN 182 Ca -0.00 -0.22 -0.10 0.00 -0.71 0.00 0.00 52.86 51.83 1bk4 s ASN 182 Cb -0.13 -0.33 -0.05 0.00 0.41 0.00 0.00 41.25 41.15 1bk4 s ASN 182 CO 0.03 0.10 0.13 -0.55 -1.51 0.00 0.00 177.10 175.29 1bk4 s SER 183 N 0.07 6.21 -0.04 -1.22 0.15 0.15 -1.90 113.70 117.12 1bk4 s SER 183 Ca -0.02 0.26 0.07 0.00 0.70 0.00 0.00 55.95 56.96 1bk4 s SER 183 Cb -0.08 -2.08 -0.01 0.00 -1.71 0.00 0.00 66.02 62.13 1bk4 s SER 183 CO 0.01 0.21 -0.25 -0.36 1.20 0.00 0.00 173.24 174.04 1bk4 s PHE 184 N 0.18 2.40 -0.07 3.44 0.40 0.71 -0.16 117.98 124.89 1bk4 s PHE 184 Ca 0.09 -0.61 0.03 0.00 -0.60 0.00 0.00 56.93 55.84 1bk4 s PHE 184 Cb -0.11 -1.56 -0.02 0.00 0.51 0.00 0.00 43.02 41.84 1bk4 s PHE 184 CO -0.01 -0.14 -0.16 1.41 0.70 0.00 0.00 175.22 177.01 1bk4 s MET 185 N -0.34 2.73 -0.11 0.44 1.75 -0.68 0.04 119.30 123.13 1bk4 s MET 185 Ca 0.02 -0.73 -0.30 0.00 -1.25 0.00 0.00 55.69 53.43 1bk4 s MET 185 Cb -0.12 -2.40 -0.02 0.00 2.84 0.00 0.00 34.83 35.13 1bk4 s MET 185 CO 0.02 0.48 1.20 -1.17 -0.65 0.00 0.00 175.02 174.89 1bk4 s LEU 186 N -0.36 4.22 -0.51 4.11 2.96 0.08 -0.64 118.68 128.55 1bk4 s LEU 186 Ca 0.03 1.71 -0.20 0.00 -0.22 0.00 0.00 54.13 55.45 1bk4 s LEU 186 Cb -0.12 -3.55 0.05 0.00 0.50 0.00 0.00 46.19 43.07 1bk4 s LEU 186 CO 0.02 -0.65 0.70 -0.62 -1.32 0.00 0.00 176.35 174.48 1bk4 s ASP 187 N 1.62 6.26 0.45 3.68 -1.08 -0.47 -4.68 116.67 122.46 1bk4 s ASP 187 Ca 0.54 -0.72 0.31 0.00 -0.52 0.00 0.00 52.55 52.16 1bk4 s ASP 187 Cb -0.22 -2.33 1.39 0.00 -1.46 0.00 0.00 42.92 40.30 1bk4 s ASP 187 CO 0.18 -0.95 1.93 1.55 0.52 0.00 0.00 175.17 178.39 1bk4 h PRO 188 N 9.05 0.00 -0.20 4.34 0.13 -1.94 0.98 132.00 144.36 1bk4 h PRO 188 Ca -0.27 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.80 1bk4 h PRO 188 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1bk4 h PRO 188 CO 0.98 0.00 -0.11 0.00 -0.23 0.00 0.00 178.00 178.65 1bk4 h ALA 189 N 2.08 0.28 -0.01 -0.56 0.00 -1.96 -3.33 119.26 115.75 1bk4 h ALA 189 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1bk4 h ALA 189 Cb 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1bk4 h ALA 189 CO 0.00 0.12 -0.08 0.44 0.00 0.00 0.00 179.25 179.74 1bk4 n ILE 190 N -4.55 0.00 -3.38 0.00 -5.35 -1.11 -5.03 119.36 99.93 1bk4 n ILE 190 Ca -0.05 -0.46 -0.17 0.00 -0.27 0.00 0.00 62.75 61.80 1bk4 n ILE 190 Cb 0.33 1.22 0.08 0.00 -1.74 0.00 0.00 39.64 39.53 1bk4 n ILE 190 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bk4 n GLY 191 N 0.78 -0.70 3.00 3.28 0.00 0.32 -5.03 105.19 106.84 1bk4 n GLY 191 Ca 0.06 0.31 -0.09 0.00 0.00 0.00 0.00 46.02 46.30 1bk4 n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bk4 s GLU 192 N -5.03 0.34 -0.34 1.61 2.56 -1.21 -4.99 118.70 111.64 1bk4 s GLU 192 Ca 0.20 -0.57 -0.18 0.00 0.00 0.00 0.00 54.97 54.42 1bk4 s GLU 192 Cb -0.03 0.13 -0.01 0.00 2.00 0.00 0.00 34.13 36.22 1bk4 s GLU 192 CO 0.74 -0.06 0.50 -0.06 -0.56 0.00 0.00 175.26 175.83 1bk4 s PHE 193 N -1.44 3.19 -0.08 5.30 0.08 -1.26 -1.36 117.98 122.40 1bk4 s PHE 193 Ca -0.16 0.22 -0.17 0.00 0.12 0.00 0.00 56.93 56.94 1bk4 s PHE 193 Cb -0.10 -2.89 -0.05 0.00 -0.57 0.00 0.00 43.02 39.42 1bk4 s PHE 193 CO -0.01 -0.50 0.44 0.42 -0.10 0.00 0.00 175.22 175.47 1bk4 s ILE 194 N 2.36 5.14 0.10 0.64 1.09 0.18 -1.08 121.20 129.64 1bk4 s ILE 194 Ca 0.19 0.89 -0.32 0.00 -1.10 0.00 0.00 60.65 60.30 1bk4 s ILE 194 Cb -0.15 -3.77 -0.12 0.00 -1.06 0.00 0.00 42.46 37.36 1bk4 s ILE 194 CO 0.13 0.41 1.79 -0.11 -0.10 0.00 0.00 174.94 177.06 1bk4 n LEU 195 N 3.10 3.77 -0.05 2.97 7.94 -0.20 -1.68 117.00 132.85 1bk4 n LEU 195 Ca -0.10 1.01 -0.08 0.00 -1.11 0.00 0.00 56.01 55.73 1bk4 n LEU 195 Cb 0.52 -1.50 -0.05 0.00 0.53 0.00 0.00 43.42 42.92 1bk4 n LEU 195 CO 0.41 0.05 -0.86 0.52 -1.11 0.00 0.00 177.39 176.40 1bk4 n VAL 196 N 4.48 0.62 -4.47 1.96 0.31 0.77 -4.90 118.33 117.11 1bk4 n VAL 196 Ca 0.18 -0.22 -0.24 0.00 -0.01 0.00 0.00 64.34 64.06 1bk4 n VAL 196 Cb 0.34 -1.03 -0.17 0.00 -0.91 0.00 0.00 33.84 32.08 1bk4 n VAL 196 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1bk4 s ASP 197 N -5.23 1.59 -0.10 4.52 1.01 -0.68 -4.97 116.67 112.81 1bk4 s ASP 197 Ca -0.15 -0.26 -0.04 0.00 0.71 0.00 0.00 52.55 52.81 1bk4 s ASP 197 Cb 0.04 -0.74 -0.04 0.00 1.01 0.00 0.00 42.92 43.20 1bk4 s ASP 197 CO 0.24 0.01 0.06 -0.54 0.21 0.00 0.00 175.17 175.15 1bk4 s LYS 198 N 0.75 3.18 -0.73 8.23 1.02 -1.26 -0.68 119.74 130.25 1bk4 s LYS 198 Ca -0.13 -0.29 -0.02 0.00 0.02 0.00 0.00 55.97 55.55 1bk4 s LYS 198 Cb -0.15 -2.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 1bk4 s LYS 198 CO 0.03 0.74 0.55 -1.71 -0.92 0.00 0.00 175.35 174.03 1bk4 n ASN 199 N 2.05 -4.35 -4.81 2.83 5.15 -0.45 -4.91 115.26 110.78 1bk4 n ASN 199 Ca -0.19 -0.85 -0.34 0.00 -0.60 0.00 0.00 54.58 52.60 1bk4 n ASN 199 Cb 0.54 -1.43 -0.05 0.00 -0.53 0.00 0.00 39.78 38.30 1bk4 n ASN 199 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1bk4 s VAL 200 N -2.80 4.11 -0.05 3.44 -7.23 0.19 -4.83 120.40 113.23 1bk4 s VAL 200 Ca 0.02 1.36 0.03 0.00 -1.81 0.00 0.00 61.98 61.58 1bk4 s VAL 200 Cb -0.00 -3.58 0.00 0.00 0.56 0.00 0.00 36.38 33.37 1bk4 s VAL 200 CO 0.81 -0.24 -0.13 -0.54 -0.31 0.00 0.00 175.10 174.69 1bk4 s LYS 201 N -3.08 1.58 0.28 4.82 -0.14 -1.26 -4.43 119.74 117.51 1bk4 s LYS 201 Ca 0.63 -0.46 -0.29 0.00 -1.36 0.00 0.00 55.97 54.48 1bk4 s LYS 201 Cb -0.13 -1.35 -0.10 0.00 -1.68 0.00 0.00 37.83 34.57 1bk4 s LYS 201 CO 0.17 0.13 1.09 -1.50 -0.76 0.00 0.00 175.35 174.48 1bk4 s ILE 202 N 0.33 3.52 0.66 2.17 2.07 0.07 -5.00 121.20 125.03 1bk4 s ILE 202 Ca -0.08 1.53 -0.17 0.00 -1.41 0.00 0.00 60.65 60.52 1bk4 s ILE 202 Cb -0.13 -3.97 0.00 0.00 0.13 0.00 0.00 42.46 38.49 1bk4 s ILE 202 CO 0.02 0.36 1.24 -1.59 -1.91 0.00 0.00 174.94 173.07 1bk4 s LYS 203 N -1.44 2.50 0.28 3.50 -2.85 -1.26 -4.85 119.74 115.62 1bk4 s LYS 203 Ca 0.44 1.90 -0.03 0.00 -1.00 0.00 0.00 55.97 57.28 1bk4 s LYS 203 Cb -0.32 -1.86 0.39 0.00 -2.06 0.00 0.00 37.83 33.99 1bk4 s LYS 203 CO 0.40 -1.59 1.92 0.87 0.10 0.00 0.00 175.35 177.06 1bk4 h LYS 204 N 0.32 1.08 -3.54 1.78 1.79 -1.95 -3.40 116.57 112.65 1bk4 h LYS 204 Ca -0.50 -0.10 -0.23 0.00 -2.18 0.00 0.00 60.65 57.65 1bk4 h LYS 204 Cb 1.31 -0.22 -0.29 0.00 -1.58 0.00 0.00 32.23 31.45 1bk4 h LYS 204 CO 0.52 0.76 -0.65 0.21 -1.08 0.00 0.00 179.45 179.22 1bk4 s LYS 205 N -5.79 0.06 0.50 3.15 2.20 -1.26 -0.79 119.74 117.82 1bk4 s LYS 205 Ca -0.11 0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.65 1bk4 s LYS 205 Cb 0.17 -0.02 -0.01 0.00 -1.51 0.00 0.00 37.83 36.46 1bk4 s LYS 205 CO 0.80 -0.05 0.07 0.20 -0.36 0.00 0.00 175.35 176.01 1bk4 s GLY 206 N 0.28 2.87 -0.17 5.54 0.00 -1.26 -4.75 107.32 109.82 1bk4 s GLY 206 Ca -0.02 -0.74 0.14 0.00 0.00 0.00 0.00 44.72 44.10 1bk4 s GLY 206 CO -0.01 -2.14 1.21 1.16 0.00 0.00 0.00 173.10 173.31 1bk4 n ASN 207 N -1.31 1.63 -3.92 1.64 0.23 -1.26 -4.68 115.26 107.58 1bk4 n ASN 207 Ca -0.15 -3.56 -0.15 0.00 -0.53 0.00 0.00 54.58 50.20 1bk4 n ASN 207 Cb 0.67 -0.49 -0.14 0.00 -2.08 0.00 0.00 39.78 37.74 1bk4 n ASN 207 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1bk4 s ILE 208 N -2.71 0.27 0.06 1.53 1.01 -1.26 -0.90 121.20 119.21 1bk4 s ILE 208 Ca 0.37 -0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.96 1bk4 s ILE 208 Cb 0.36 -0.24 -0.03 0.00 0.01 0.00 0.00 42.46 42.56 1bk4 s ILE 208 CO -0.08 0.08 -0.23 -0.72 0.00 0.00 0.00 174.94 173.99 1bk4 s TYR 209 N -0.04 2.01 -0.06 3.97 -0.85 -0.70 -1.84 117.35 119.85 1bk4 s TYR 209 Ca 0.01 -0.39 -0.01 0.00 -0.52 0.00 0.00 57.07 56.15 1bk4 s TYR 209 Cb -0.02 -1.17 0.03 0.00 0.38 0.00 0.00 41.96 41.18 1bk4 s TYR 209 CO -0.00 0.15 0.02 0.45 -1.52 0.00 0.00 175.55 174.65 1bk4 s SER 210 N -1.42 1.32 -0.22 -0.18 0.15 -0.11 -2.56 113.70 110.68 1bk4 s SER 210 Ca 0.09 -0.02 -0.34 0.00 0.70 0.00 0.00 55.95 56.38 1bk4 s SER 210 Cb -0.09 -0.31 0.15 0.00 -1.71 0.00 0.00 66.02 64.06 1bk4 s SER 210 CO 0.03 -0.21 1.25 -1.48 1.20 0.00 0.00 173.24 174.03 1bk4 s LEU 211 N 1.96 -0.12 -0.80 3.45 2.34 -1.26 -0.69 118.68 123.56 1bk4 s LEU 211 Ca 0.04 0.04 -0.26 0.00 0.06 0.00 0.00 54.13 54.01 1bk4 s LEU 211 Cb -0.12 1.31 0.03 0.00 -0.56 0.00 0.00 46.19 46.84 1bk4 s LEU 211 CO -0.04 -0.17 1.42 0.21 -1.06 0.00 0.00 176.35 176.72 1bk4 s ASN 212 N -1.79 6.09 0.00 1.48 3.84 -1.26 -4.82 114.94 118.47 1bk4 s ASN 212 Ca 0.09 -0.61 0.15 0.00 0.21 0.00 0.00 52.86 52.70 1bk4 s ASN 212 Cb -0.01 -2.56 0.92 0.00 -0.55 0.00 0.00 41.25 39.05 1bk4 s ASN 212 CO -0.05 -1.87 1.33 -0.62 -2.79 0.00 0.00 177.10 173.11 1bk4 n GLU 213 N 9.21 0.53 0.03 0.43 1.02 -1.26 -2.95 120.64 127.66 1bk4 n GLU 213 Ca 0.14 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.37 1bk4 n GLU 213 Cb 0.50 -1.45 0.39 0.00 -0.02 0.00 0.00 31.44 30.86 1bk4 n GLU 213 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bk4 n GLY 214 N 0.07 -1.15 1.58 0.62 0.00 -1.26 -1.35 105.19 103.70 1bk4 n GLY 214 Ca 0.12 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.11 1bk4 n GLY 214 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bk4 n TYR 215 N -1.66 1.82 -0.37 1.61 4.01 -1.15 -4.64 117.16 116.78 1bk4 n TYR 215 Ca 0.04 -1.06 0.32 0.00 -0.16 0.00 0.00 57.90 57.04 1bk4 n TYR 215 Cb 0.21 -0.53 0.66 0.00 -0.31 0.00 0.00 39.34 39.37 1bk4 n TYR 215 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bk4 h ALA 216 N 2.50 2.81 0.00 -0.72 0.00 -1.45 0.55 119.26 122.95 1bk4 h ALA 216 Ca 0.14 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1bk4 h ALA 216 Cb 1.95 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 1bk4 h ALA 216 CO 0.51 -1.23 -0.11 -0.22 0.00 0.00 0.00 179.25 178.20 1bk4 h LYS 217 N 0.15 0.00 -0.01 0.00 3.64 -1.85 -3.10 116.57 115.40 1bk4 h LYS 217 Ca 0.64 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.02 1bk4 h LYS 217 Cb 2.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.98 1bk4 h LYS 217 CO -0.17 0.11 -0.34 -0.25 -2.27 0.00 0.00 179.45 176.53 1bk4 n ASP 218 N -3.53 1.30 -4.76 4.20 8.00 0.17 -5.01 116.55 116.92 1bk4 n ASP 218 Ca -0.01 -1.15 -0.41 0.00 0.71 0.00 0.00 54.79 53.92 1bk4 n ASP 218 Cb 0.25 0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 1bk4 n ASP 218 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1bk4 n PHE 219 N -0.38 2.83 -1.71 1.24 3.72 -1.14 -4.72 117.46 117.30 1bk4 n PHE 219 Ca 0.05 0.46 -0.31 0.00 -0.05 0.00 0.00 57.45 57.60 1bk4 n PHE 219 Cb 0.27 -2.50 0.03 0.00 -0.94 0.00 0.00 39.48 36.34 1bk4 n PHE 219 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1bk4 s ASP 220 N -0.23 5.72 0.53 4.37 -4.77 -1.26 -4.81 116.67 116.21 1bk4 s ASP 220 Ca 0.55 1.50 0.28 0.00 -3.30 0.00 0.00 52.55 51.58 1bk4 s ASP 220 Cb -0.48 -2.44 1.42 0.00 -1.09 0.00 0.00 42.92 40.32 1bk4 s ASP 220 CO 0.62 -1.21 1.93 1.55 0.70 0.00 0.00 175.17 178.76 1bk4 h PRO 221 N -0.56 0.03 -0.15 2.11 0.13 -1.99 -1.97 132.00 129.60 1bk4 h PRO 221 Ca -0.44 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1bk4 h PRO 221 Cb 1.21 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1bk4 h PRO 221 CO 0.59 0.02 0.04 0.00 -0.23 0.00 0.00 178.00 178.43 1bk4 h ALA 222 N 1.63 0.20 -0.35 -0.56 0.00 -1.91 -1.43 119.26 116.83 1bk4 h ALA 222 Ca 0.36 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1bk4 h ALA 222 Cb 1.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1bk4 h ALA 222 CO -0.02 -0.17 -0.23 -0.39 0.00 0.00 0.00 179.25 178.44 1bk4 h VAL 223 N 0.06 1.29 -0.57 0.00 -1.51 -1.75 -0.94 116.25 112.83 1bk4 h VAL 223 Ca 0.05 -1.37 0.05 0.00 -1.23 0.00 0.00 66.70 64.19 1bk4 h VAL 223 Cb 0.24 1.40 -0.03 0.00 -2.13 0.00 0.00 31.29 30.77 1bk4 h VAL 223 CO -0.00 0.45 0.38 0.71 -1.23 0.00 0.00 177.57 177.88 1bk4 h THR 224 N 0.57 1.03 -0.02 7.19 1.35 -1.34 -0.06 112.91 121.63 1bk4 h THR 224 Ca 0.07 -0.21 -0.12 0.00 -0.55 0.00 0.00 66.41 65.61 1bk4 h THR 224 Cb 0.79 0.38 0.01 0.00 -1.73 0.00 0.00 68.15 67.60 1bk4 h THR 224 CO 0.06 0.11 -0.45 -0.08 -0.25 0.00 0.00 175.52 174.92 1bk4 h GLU 225 N 0.60 0.34 -0.28 4.72 4.81 -0.93 -2.56 114.58 121.28 1bk4 h GLU 225 Ca 0.24 -0.34 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1bk4 h GLU 225 Cb 0.18 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1bk4 h GLU 225 CO -0.07 1.01 0.11 -0.92 -0.73 0.00 0.00 179.01 178.42 1bk4 h TYR 226 N -0.21 0.20 -0.51 0.92 3.20 -0.52 -0.83 116.97 119.22 1bk4 h TYR 226 Ca -0.05 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.86 1bk4 h TYR 226 Cb 1.15 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.34 1bk4 h TYR 226 CO 0.15 0.10 0.29 0.82 -1.64 0.00 0.00 178.16 177.88 1bk4 h ILE 227 N 0.24 1.03 -0.83 1.81 1.08 -1.10 -1.88 117.51 117.87 1bk4 h ILE 227 Ca 0.12 -0.20 0.10 0.00 -0.39 0.00 0.00 64.86 64.49 1bk4 h ILE 227 Cb 0.07 0.40 -0.08 0.00 -3.07 0.00 0.00 36.82 34.15 1bk4 h ILE 227 CO -0.11 0.11 0.47 -0.61 -0.69 0.00 0.00 178.15 177.31 1bk4 h GLN 228 N 0.58 0.74 0.00 2.37 4.15 -0.97 0.34 115.11 122.32 1bk4 h GLN 228 Ca 0.21 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1bk4 h GLN 228 Cb 0.05 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.57 1bk4 h GLN 228 CO -0.11 0.49 0.00 1.63 -1.93 0.00 0.00 178.83 178.91 1bk4 n LYS 229 N -4.76 0.11 0.04 1.69 4.76 -0.37 -2.30 118.16 117.33 1bk4 n LYS 229 Ca 0.14 0.41 -0.17 0.00 -2.87 0.00 0.00 58.31 55.82 1bk4 n LYS 229 Cb 0.30 -1.74 -0.14 0.00 -1.84 0.00 0.00 35.03 31.60 1bk4 n LYS 229 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1bk4 h LYS 230 N 0.00 0.23 0.00 1.97 1.79 -0.04 -3.20 116.57 117.32 1bk4 h LYS 230 Ca 0.00 -0.39 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1bk4 h LYS 230 Cb 0.25 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1bk4 h LYS 230 CO 0.00 1.06 -0.76 0.87 -1.08 0.00 0.00 179.45 179.53 1bk4 h LYS 231 N 0.06 0.00 -2.05 3.15 1.57 -1.12 -1.93 116.57 116.25 1bk4 h LYS 231 Ca -0.30 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.94 1bk4 h LYS 231 Cb 2.03 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.97 1bk4 h LYS 231 CO 0.14 0.00 -1.01 1.19 -0.57 0.00 0.00 179.45 179.19 1bk4 n PHE 232 N -2.67 -0.82 -1.67 -1.35 3.72 -0.97 -4.79 117.46 108.89 1bk4 n PHE 232 Ca 0.01 -3.32 -0.45 0.00 -0.05 0.00 0.00 57.45 53.64 1bk4 n PHE 232 Cb 0.53 0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 39.07 1bk4 n PHE 232 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1bk4 n PRO 233 N 2.06 2.12 0.25 -1.08 -0.02 -1.21 -4.64 135.00 132.48 1bk4 n PRO 233 Ca 0.24 0.76 0.13 0.00 -2.02 0.00 0.00 63.50 62.61 1bk4 n PRO 233 Cb 0.51 -2.47 0.62 0.00 -0.02 0.00 0.00 33.50 32.14 1bk4 n PRO 233 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1bk4 h PRO 234 N 4.98 0.00 -0.72 0.52 0.13 -1.94 -2.45 132.00 132.52 1bk4 h PRO 234 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1bk4 h PRO 234 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1bk4 h PRO 234 CO 0.82 0.14 0.00 -0.40 -0.23 0.00 0.00 178.00 178.33 1bk4 n ASP 235 N -3.40 4.20 -0.51 1.44 5.75 -1.26 -4.90 116.55 117.87 1bk4 n ASP 235 Ca -0.01 -2.63 -0.07 0.00 -0.01 0.00 0.00 54.79 52.08 1bk4 n ASP 235 Cb 0.33 -0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 39.77 1bk4 n ASP 235 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1bk4 n ASN 236 N 0.42 -5.51 -3.96 -1.12 3.02 -0.92 -4.99 115.26 102.19 1bk4 n ASN 236 Ca 0.19 0.16 -0.30 0.00 -0.03 0.00 0.00 54.58 54.60 1bk4 n ASN 236 Cb 0.89 -3.60 0.23 0.00 -0.61 0.00 0.00 39.78 36.69 1bk4 n ASN 236 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1bk4 s SER 237 N -2.29 1.37 0.24 6.41 1.04 -1.26 -4.97 113.70 114.24 1bk4 s SER 237 Ca 0.00 0.66 -0.30 0.00 0.48 0.00 0.00 55.95 56.80 1bk4 s SER 237 Cb 0.00 -0.94 -0.09 0.00 0.10 0.00 0.00 66.02 65.09 1bk4 s SER 237 CO 0.00 -3.85 1.12 -0.44 0.98 0.00 0.00 173.24 171.05 1bk4 s SER 238 N -3.95 7.22 0.59 7.02 0.01 -1.26 -4.54 113.70 118.79 1bk4 s SER 238 Ca 0.70 2.24 -0.17 0.00 1.31 0.00 0.00 55.95 60.03 1bk4 s SER 238 Cb -0.10 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 1bk4 s SER 238 CO 0.56 -0.21 1.08 -2.16 0.41 0.00 0.00 173.24 172.92 1bk4 s PRO 239 N -1.01 3.25 0.59 12.44 0.04 -1.26 -4.91 135.00 144.14 1bk4 s PRO 239 Ca 0.47 1.34 -0.18 0.00 0.04 0.00 0.00 61.00 62.67 1bk4 s PRO 239 Cb -0.32 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 1bk4 s PRO 239 CO 0.39 -0.88 1.12 0.71 0.04 0.00 0.00 177.00 178.38 1bk4 s TYR 240 N -2.26 2.66 0.37 0.56 1.51 -0.73 -5.02 117.35 114.45 1bk4 s TYR 240 Ca 0.66 1.55 -0.06 0.00 -1.01 0.00 0.00 57.07 58.21 1bk4 s TYR 240 Cb -0.18 -3.23 -0.05 0.00 -0.11 0.00 0.00 41.96 38.39 1bk4 s TYR 240 CO 0.34 -1.61 0.66 0.20 -1.11 0.00 0.00 175.55 174.04 1bk4 s GLY 241 N -2.13 1.73 0.04 0.71 0.00 -0.08 -4.83 107.32 102.77 1bk4 s GLY 241 Ca 0.70 -0.50 -0.01 0.00 0.00 0.00 0.00 44.72 44.91 1bk4 s GLY 241 CO 0.33 -0.37 0.21 0.00 0.00 0.00 0.00 173.10 173.28 1bk4 s ALA 242 N -2.34 3.98 -0.30 3.20 0.00 -1.26 -1.71 121.76 123.32 1bk4 s ALA 242 Ca 0.46 -0.79 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 1bk4 s ALA 242 Cb -0.10 -1.87 0.13 0.00 0.00 0.00 0.00 23.12 21.28 1bk4 s ALA 242 CO 0.34 0.79 0.72 0.50 0.00 0.00 0.00 175.76 178.11 1bk4 s ARG 243 N -2.31 0.53 -0.21 0.00 6.06 -1.06 -4.93 118.95 117.02 1bk4 s ARG 243 Ca 0.33 1.31 -0.04 0.00 -2.50 0.00 0.00 55.73 54.83 1bk4 s ARG 243 Cb -0.13 0.77 0.11 0.00 0.06 0.00 0.00 34.95 35.76 1bk4 s ARG 243 CO 0.24 -0.18 0.34 -0.47 -2.50 0.00 0.00 175.30 172.73 1bk4 s TYR 244 N 2.76 -0.66 0.05 5.12 5.04 -1.26 -4.18 117.35 124.23 1bk4 s TYR 244 Ca -0.06 0.82 -0.04 0.00 -2.44 0.00 0.00 57.07 55.36 1bk4 s TYR 244 Cb -0.11 -0.03 -0.28 0.00 0.35 0.00 0.00 41.96 41.89 1bk4 s TYR 244 CO -0.19 -0.62 1.06 0.28 -1.34 0.00 0.00 175.55 174.75 1bk4 h VAL 245 N 6.22 1.40 0.00 3.14 2.07 -1.97 -3.49 116.25 123.63 1bk4 h VAL 245 Ca -0.18 -2.99 0.00 0.00 0.82 0.00 0.00 66.70 64.36 1bk4 h VAL 245 Cb 1.14 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.81 1bk4 h VAL 245 CO 0.24 0.87 0.00 0.61 0.02 0.00 0.00 177.57 179.30 1bk4 n GLY 246 N 1.57 2.00 3.24 2.17 0.00 -1.26 -5.02 105.19 107.88 1bk4 n GLY 246 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1bk4 n GLY 246 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bk4 s SER 247 N -1.59 3.83 0.18 1.61 0.15 -1.26 -4.96 113.70 111.65 1bk4 s SER 247 Ca 0.00 -0.49 -0.19 0.00 0.70 0.00 0.00 55.95 55.97 1bk4 s SER 247 Cb 0.00 -1.63 0.11 0.00 -1.71 0.00 0.00 66.02 62.79 1bk4 s SER 247 CO 0.00 -0.01 1.62 -0.03 1.20 0.00 0.00 173.24 176.02 1bk4 h MET 248 N 8.00 -0.14 -0.62 5.44 4.05 -1.92 -1.20 114.93 128.54 1bk4 h MET 248 Ca -0.43 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.05 1bk4 h MET 248 Cb 1.15 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.95 1bk4 h MET 248 CO 0.62 -0.09 0.41 0.28 0.23 0.00 0.00 176.91 178.36 1bk4 h VAL 249 N -0.14 1.03 0.06 -5.77 2.07 -1.92 0.96 116.25 112.54 1bk4 h VAL 249 Ca 0.21 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1bk4 h VAL 249 Cb 0.47 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1bk4 h VAL 249 CO -0.53 0.12 -0.03 0.00 0.02 0.00 0.00 177.57 177.15 1bk4 h ALA 250 N 1.65 -0.08 -0.26 1.67 0.00 -1.35 -1.48 119.26 119.42 1bk4 h ALA 250 Ca 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1bk4 h ALA 250 Cb 0.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1bk4 h ALA 250 CO -0.08 -0.33 0.06 -0.44 0.00 0.00 0.00 179.25 178.46 1bk4 h ASP 251 N -0.50 0.39 -0.74 0.00 3.32 -1.02 -1.52 116.42 116.34 1bk4 h ASP 251 Ca -0.01 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1bk4 h ASP 251 Cb 0.44 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 1bk4 h ASP 251 CO 0.01 0.52 0.48 0.58 -1.72 0.00 0.00 179.24 179.11 1bk4 h VAL 252 N 0.24 1.20 -0.17 -1.35 2.07 -0.86 -1.73 116.25 115.64 1bk4 h VAL 252 Ca 0.08 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 1bk4 h VAL 252 Cb 0.29 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1bk4 h VAL 252 CO 0.00 0.20 -0.17 -0.74 0.02 0.00 0.00 177.57 176.87 1bk4 h HIS 253 N 1.01 0.51 -0.83 1.57 -0.00 -1.12 -0.41 115.15 115.88 1bk4 h HIS 253 Ca 0.27 -0.15 0.02 0.00 -0.00 0.00 0.00 60.37 60.51 1bk4 h HIS 253 Cb -0.09 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.17 1bk4 h HIS 253 CO 0.00 0.80 0.55 -0.09 -0.00 0.00 0.00 177.93 179.18 1bk4 h ARG 254 N 0.07 1.04 -0.07 5.26 2.43 -1.11 -1.64 114.38 120.36 1bk4 h ARG 254 Ca 0.03 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1bk4 h ARG 254 Cb 0.71 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1bk4 h ARG 254 CO 0.04 0.69 0.03 1.15 -1.51 0.00 0.00 179.97 180.37 1bk4 h THR 255 N 1.07 1.13 -0.45 0.20 2.02 -1.08 -0.19 112.91 115.61 1bk4 h THR 255 Ca 0.32 -0.40 0.04 0.00 0.77 0.00 0.00 66.41 67.14 1bk4 h THR 255 Cb -0.04 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 1bk4 h THR 255 CO -0.08 0.11 0.20 0.25 0.37 0.00 0.00 175.52 176.37 1bk4 h LEU 256 N -0.04 0.28 0.38 2.58 6.46 -0.80 0.15 115.31 124.31 1bk4 h LEU 256 Ca 0.02 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1bk4 h LEU 256 Cb 0.16 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1bk4 h LEU 256 CO -0.00 0.20 -0.18 0.58 -0.62 0.00 0.00 178.44 178.41 1bk4 h VAL 257 N 0.41 0.51 -0.01 1.05 2.07 -1.15 -3.38 116.25 115.76 1bk4 h VAL 257 Ca 0.20 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1bk4 h VAL 257 Cb 0.13 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1bk4 h VAL 257 CO -0.16 0.09 -0.64 -1.22 0.02 0.00 0.00 177.57 175.66 1bk4 n TYR 258 N -5.17 0.00 -0.45 1.57 4.01 -0.10 -4.89 117.16 112.14 1bk4 n TYR 258 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1bk4 n TYR 258 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1bk4 n TYR 258 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bk4 n GLY 259 N 1.39 -2.73 0.00 2.72 0.00 0.52 -4.72 105.19 102.38 1bk4 n GLY 259 Ca 0.06 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1bk4 n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bk4 n GLY 260 N -0.61 0.14 3.02 -0.02 0.00 -1.26 -4.59 105.19 101.86 1bk4 n GLY 260 Ca 0.00 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 1bk4 n GLY 260 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1bk4 s ILE 261 N 0.00 0.08 -0.07 -0.61 2.07 -0.77 -0.78 121.20 121.14 1bk4 s ILE 261 Ca 0.00 -0.68 0.04 0.00 -1.41 0.00 0.00 60.65 58.60 1bk4 s ILE 261 Cb 0.00 -0.29 0.00 0.00 0.13 0.00 0.00 42.46 42.30 1bk4 s ILE 261 CO 0.00 -0.37 -0.17 0.12 -1.91 0.00 0.00 174.94 172.60 1bk4 s PHE 262 N -1.18 1.85 -0.08 3.50 5.36 0.17 -0.93 117.98 126.67 1bk4 s PHE 262 Ca -0.13 -0.65 0.01 0.00 -0.96 0.00 0.00 56.93 55.20 1bk4 s PHE 262 Cb -0.08 -1.27 0.02 0.00 -0.34 0.00 0.00 43.02 41.35 1bk4 s PHE 262 CO 0.00 -0.27 -0.10 -0.51 -1.46 0.00 0.00 175.22 172.89 1bk4 s LEU 263 N 0.32 1.43 -0.48 6.12 1.02 0.14 -0.74 118.68 126.48 1bk4 s LEU 263 Ca -0.11 -0.28 0.05 0.00 0.02 0.00 0.00 54.13 53.80 1bk4 s LEU 263 Cb -0.15 -0.80 0.18 0.00 0.02 0.00 0.00 46.19 45.44 1bk4 s LEU 263 CO 0.04 -0.04 0.40 0.00 0.02 0.00 0.00 176.35 176.78 1bk4 n TYR 264 N 4.29 0.19 -1.94 0.29 4.19 0.61 -4.48 117.16 120.30 1bk4 n TYR 264 Ca -0.19 -3.58 -0.28 0.00 3.31 0.00 0.00 57.90 57.16 1bk4 n TYR 264 Cb 0.51 -0.01 0.20 0.00 0.49 0.00 0.00 39.34 40.53 1bk4 n TYR 264 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1bk4 n PRO 265 N 2.47 -1.20 -3.56 2.98 -0.02 -1.26 -0.67 135.00 133.74 1bk4 n PRO 265 Ca 0.27 -2.05 -0.30 0.00 -2.02 0.00 0.00 63.50 59.39 1bk4 n PRO 265 Cb 0.45 -1.29 -0.04 0.00 -0.02 0.00 0.00 33.50 32.59 1bk4 n PRO 265 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bk4 s ALA 266 N -3.92 3.72 0.00 3.55 0.00 -1.26 -4.44 121.76 119.41 1bk4 s ALA 266 Ca 0.73 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1bk4 s ALA 266 Cb -0.02 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.89 1bk4 s ALA 266 CO 0.51 0.52 0.00 0.27 0.00 0.00 0.00 175.76 177.06 1bk4 n ASN 267 N -0.27 0.02 -0.01 0.00 0.23 0.02 -4.71 115.26 110.54 1bk4 n ASN 267 Ca -0.02 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 53.85 1bk4 n ASN 267 Cb 0.53 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 38.09 1bk4 n ASN 267 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1bk4 h LYS 268 N 0.00 0.17 0.00 -3.83 1.79 -1.98 -2.62 116.57 110.09 1bk4 h LYS 268 Ca 0.00 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1bk4 h LYS 268 Cb 0.00 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1bk4 h LYS 268 CO 0.00 1.14 0.00 0.87 -1.08 0.00 0.00 179.45 180.38 1bk4 h LYS 269 N -0.62 0.00 -1.40 3.15 6.56 -2.00 -3.35 116.57 118.91 1bk4 h LYS 269 Ca -0.14 0.00 -0.27 0.00 -1.06 0.00 0.00 60.65 59.18 1bk4 h LYS 269 Cb 1.42 0.00 -0.22 0.00 -0.57 0.00 0.00 32.23 32.86 1bk4 h LYS 269 CO 0.05 0.00 -0.63 -1.12 -2.06 0.00 0.00 179.45 175.70 1bk4 s SER 270 N -5.15 -0.61 0.00 0.86 0.01 -1.25 -5.02 113.70 102.54 1bk4 s SER 270 Ca 0.00 -2.06 0.11 0.00 1.31 0.00 0.00 55.95 55.31 1bk4 s SER 270 Cb 0.10 1.23 0.64 0.00 0.21 0.00 0.00 66.02 68.20 1bk4 s SER 270 CO 0.46 -0.09 1.12 -0.81 0.41 0.00 0.00 173.24 174.32 1bk4 n PRO 271 N 3.01 0.32 -0.08 12.44 -0.04 -0.99 -0.80 135.00 148.86 1bk4 n PRO 271 Ca 0.21 0.03 0.01 0.00 -0.04 0.00 0.00 63.50 63.70 1bk4 n PRO 271 Cb 0.54 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.50 1bk4 n PRO 271 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1bk4 n ASP 272 N -1.04 0.64 0.00 3.54 8.00 -1.26 -4.75 116.55 121.68 1bk4 n ASP 272 Ca 0.08 -1.53 0.00 0.00 0.71 0.00 0.00 54.79 54.05 1bk4 n ASP 272 Cb 0.04 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 1bk4 n ASP 272 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bk4 n GLY 273 N -0.22 0.81 0.09 0.44 0.00 -0.75 -2.90 105.19 102.65 1bk4 n GLY 273 Ca 0.01 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 1bk4 n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bk4 n LYS 274 N 0.85 0.83 -2.48 1.61 4.81 -1.26 -4.61 118.16 117.91 1bk4 n LYS 274 Ca 0.00 -0.01 -0.41 0.00 -0.87 0.00 0.00 58.31 57.02 1bk4 n LYS 274 Cb 0.00 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 33.51 1bk4 n LYS 274 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1bk4 s LEU 275 N -5.40 4.50 0.44 3.14 1.43 -1.26 -4.89 118.68 116.64 1bk4 s LEU 275 Ca -0.10 2.17 -0.23 0.00 -1.03 0.00 0.00 54.13 54.95 1bk4 s LEU 275 Cb 0.06 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.59 1bk4 s LEU 275 CO 0.80 -0.22 1.10 -0.13 0.23 0.00 0.00 176.35 178.12 1bk4 s ARG 276 N -0.70 3.91 -0.06 1.70 1.81 -1.26 -1.49 118.95 122.87 1bk4 s ARG 276 Ca 0.48 1.61 -0.07 0.00 -1.72 0.00 0.00 55.73 56.03 1bk4 s ARG 276 Cb -0.31 -2.41 -0.04 0.00 -0.45 0.00 0.00 34.95 31.75 1bk4 s ARG 276 CO 0.37 -0.38 0.29 1.25 -0.68 0.00 0.00 175.30 176.15 1bk4 h LEU 277 N 2.14 -0.20 -0.03 2.53 7.12 -0.56 0.12 115.31 126.44 1bk4 h LEU 277 Ca -0.49 0.01 0.03 0.00 0.13 0.00 0.00 57.88 57.56 1bk4 h LEU 277 Cb 1.23 0.05 -0.06 0.00 -0.53 0.00 0.00 40.66 41.35 1bk4 h LEU 277 CO 0.61 0.22 -0.46 -0.07 -0.13 0.00 0.00 178.44 178.61 1bk4 h LEU 278 N -0.96 -1.41 -3.39 2.25 3.38 -1.81 0.76 115.31 114.14 1bk4 h LEU 278 Ca -0.02 0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 1bk4 h LEU 278 Cb 0.18 0.55 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 1bk4 h LEU 278 CO 0.04 -0.48 0.03 0.00 0.09 0.00 0.00 178.44 178.12 1bk4 n TYR 279 N -5.45 1.26 0.16 1.13 0.18 -1.26 -4.34 117.16 108.84 1bk4 n TYR 279 Ca -0.06 -1.29 0.00 0.00 1.88 0.00 0.00 57.90 58.43 1bk4 n TYR 279 Cb 0.38 -0.46 0.00 0.00 -0.38 0.00 0.00 39.34 38.88 1bk4 n TYR 279 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 1bk4 n GLU 280 N -0.81 0.00 0.02 -3.48 2.13 -1.18 -4.13 120.64 113.19 1bk4 n GLU 280 Ca 0.31 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.95 1bk4 n GLU 280 Cb 1.05 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.64 1bk4 n GLU 280 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bk4 h ASN 282 N -0.11 -0.24 -0.83 0.00 2.35 -1.06 0.30 115.58 115.99 1bk4 h ASN 282 Ca -0.09 -0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1bk4 h ASN 282 Cb 1.41 0.06 -0.05 0.00 0.05 0.00 0.00 38.32 39.79 1bk4 h ASN 282 CO 0.13 -0.14 0.55 -0.65 -1.65 0.00 0.00 177.43 175.67 1bk4 h PRO 283 N -0.32 1.01 0.00 0.81 0.11 -1.76 0.20 132.00 132.05 1bk4 h PRO 283 Ca -0.03 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.89 1bk4 h PRO 283 Cb 0.25 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 1bk4 h PRO 283 CO 0.05 0.67 -0.60 0.52 -0.21 0.00 0.00 178.00 178.43 1bk4 h MET 284 N 1.04 0.00 -0.10 1.05 2.86 -1.46 -2.42 114.93 115.89 1bk4 h MET 284 Ca 0.33 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.84 1bk4 h MET 284 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1bk4 h MET 284 CO -0.09 0.60 -0.41 0.00 1.06 0.00 0.00 176.91 178.06 1bk4 h ALA 285 N 1.40 0.19 -0.61 6.32 0.00 0.10 -2.08 119.26 124.58 1bk4 h ALA 285 Ca -0.01 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1bk4 h ALA 285 Cb 1.20 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1bk4 h ALA 285 CO 0.08 0.31 0.37 0.35 0.00 0.00 0.00 179.25 180.36 1bk4 h PHE 286 N 0.04 0.79 -0.58 0.00 3.04 -0.68 -1.20 116.94 118.36 1bk4 h PHE 286 Ca -0.02 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.90 1bk4 h PHE 286 Cb 1.05 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 39.27 1bk4 h PHE 286 CO 0.12 0.53 0.23 0.82 -2.02 0.00 0.00 178.31 177.98 1bk4 h ILE 287 N 0.82 1.23 0.05 1.41 2.04 -1.44 -1.80 117.51 119.82 1bk4 h ILE 287 Ca 0.22 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.38 1bk4 h ILE 287 Cb -0.04 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1bk4 h ILE 287 CO -0.04 0.27 -0.10 0.24 0.00 0.00 0.00 178.15 178.52 1bk4 h MET 288 N 0.80 -0.18 -0.41 2.37 2.86 -0.89 0.24 114.93 119.72 1bk4 h MET 288 Ca 0.19 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1bk4 h MET 288 Cb 0.21 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1bk4 h MET 288 CO -0.02 -0.12 0.23 0.93 1.06 0.00 0.00 176.91 179.00 1bk4 h GLU 289 N -0.19 0.57 0.00 1.72 5.08 -1.14 0.47 114.58 121.09 1bk4 h GLU 289 Ca 0.02 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1bk4 h GLU 289 Cb 0.21 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1bk4 h GLU 289 CO -0.07 0.44 -0.06 0.87 -1.00 0.00 0.00 179.01 179.19 1bk4 h LYS 290 N 0.53 0.00 0.00 2.33 6.56 -1.11 0.29 116.57 125.17 1bk4 h LYS 290 Ca 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 1bk4 h LYS 290 Cb 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 1bk4 h LYS 290 CO -0.02 0.06 -0.21 0.00 -2.06 0.00 0.00 179.45 177.22 1bk4 n ALA 291 N -2.34 2.80 0.00 3.86 0.00 0.06 -4.46 120.51 120.43 1bk4 n ALA 291 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1bk4 n ALA 291 Cb 0.16 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1bk4 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bk4 n GLY 292 N 1.49 0.71 0.00 0.00 0.00 0.10 -0.75 105.19 106.74 1bk4 n GLY 292 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1bk4 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bk4 n GLY 293 N -1.88 1.16 3.16 -0.02 0.00 0.15 -4.50 105.19 103.27 1bk4 n GLY 293 Ca 0.00 -2.01 -0.12 0.00 0.00 0.00 0.00 46.02 43.89 1bk4 n GLY 293 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1bk4 s MET 294 N -2.02 0.82 -0.13 1.61 1.00 -0.93 -3.53 119.30 116.11 1bk4 s MET 294 Ca 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 55.69 54.41 1bk4 s MET 294 Cb 0.00 -0.31 0.07 0.00 0.00 0.00 0.00 34.83 34.59 1bk4 s MET 294 CO 0.00 0.02 0.22 0.00 0.00 0.00 0.00 175.02 175.26 1bk4 s ALA 295 N -3.11 -0.38 0.17 3.03 0.00 -1.26 -2.24 121.76 117.96 1bk4 s ALA 295 Ca 0.08 0.68 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 1bk4 s ALA 295 Cb 0.02 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 1bk4 s ALA 295 CO -0.03 -0.74 0.16 -0.08 0.00 0.00 0.00 175.76 175.07 1bk4 s THR 296 N 2.36 0.06 -1.55 0.00 -1.32 -0.43 -1.42 115.64 113.35 1bk4 s THR 296 Ca 0.03 -1.79 0.23 0.00 -1.21 0.00 0.00 61.69 58.95 1bk4 s THR 296 Cb -0.13 -2.15 -0.06 0.00 -1.51 0.00 0.00 72.50 68.66 1bk4 s THR 296 CO -0.08 -0.26 1.10 0.35 -2.21 0.00 0.00 174.62 173.52 1bk4 n THR 297 N -0.19 0.00 0.00 5.08 -2.24 0.11 -0.48 114.28 116.56 1bk4 n THR 297 Ca -0.03 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1bk4 n THR 297 Cb 0.64 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 1bk4 n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bk4 n GLY 298 N 1.45 3.18 0.06 3.38 0.00 -1.26 -4.75 105.19 107.24 1bk4 n GLY 298 Ca 0.07 -0.87 -0.06 0.00 0.00 0.00 0.00 46.02 45.16 1bk4 n GLY 298 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bk4 h LYS 299 N 0.00 -0.01 -4.77 1.61 1.57 -1.98 -3.48 116.57 109.50 1bk4 h LYS 299 Ca 0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 1bk4 h LYS 299 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.17 1bk4 h LYS 299 CO 0.00 0.41 -0.66 -1.83 -0.57 0.00 0.00 179.45 176.80 1bk4 s GLU 300 N -1.90 1.12 0.30 3.15 -1.05 -1.26 -5.13 118.70 113.92 1bk4 s GLU 300 Ca -0.08 -1.54 -0.29 0.00 -0.15 0.00 0.00 54.97 52.90 1bk4 s GLU 300 Cb -0.01 -0.22 -0.10 0.00 -0.44 0.00 0.00 34.13 33.36 1bk4 s GLU 300 CO 0.30 -0.15 1.22 0.00 0.95 0.00 0.00 175.26 177.57 1bk4 s ALA 301 N -3.70 3.46 0.27 -0.84 0.00 -1.26 0.08 121.76 119.77 1bk4 s ALA 301 Ca 0.25 1.10 -0.01 0.00 0.00 0.00 0.00 51.96 53.29 1bk4 s ALA 301 Cb 0.06 -3.42 0.46 0.00 0.00 0.00 0.00 23.12 20.23 1bk4 s ALA 301 CO 0.04 -0.43 1.87 0.82 0.00 0.00 0.00 175.76 178.06 1bk4 h ILE 302 N 3.13 1.03 0.00 0.00 1.08 -1.54 -2.28 117.51 118.92 1bk4 h ILE 302 Ca -0.48 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 1bk4 h ILE 302 Cb 1.22 -0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 1bk4 h ILE 302 CO 0.67 0.20 0.00 -0.07 -0.69 0.00 0.00 178.15 178.26 1bk4 h LEU 303 N 1.12 0.00 -0.14 1.44 3.38 -1.92 -2.72 115.31 116.46 1bk4 h LEU 303 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1bk4 h LEU 303 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1bk4 h LEU 303 CO -0.21 0.00 -0.56 0.47 0.09 0.00 0.00 178.44 178.23 1bk4 n ASP 304 N -2.76 0.79 -4.68 -0.43 8.00 -0.86 -1.08 116.55 115.53 1bk4 n ASP 304 Ca 0.00 -0.59 -0.42 0.00 0.71 0.00 0.00 54.79 54.48 1bk4 n ASP 304 Cb 0.21 0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 1bk4 n ASP 304 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1bk4 s ILE 305 N -2.88 3.73 -0.26 0.53 1.01 -1.03 -4.95 121.20 117.35 1bk4 s ILE 305 Ca 0.13 1.02 -0.19 0.00 0.00 0.00 0.00 60.65 61.61 1bk4 s ILE 305 Cb 0.18 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 1bk4 s ILE 305 CO 0.70 -0.04 0.57 -0.69 0.00 0.00 0.00 174.94 175.47 1bk4 s VAL 306 N 3.05 5.03 0.44 2.92 1.01 -1.26 -4.26 120.40 127.33 1bk4 s VAL 306 Ca 0.66 0.99 -0.24 0.00 0.00 0.00 0.00 61.98 63.38 1bk4 s VAL 306 Cb -0.31 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 1bk4 s VAL 306 CO 0.26 0.05 1.21 -2.84 0.00 0.00 0.00 175.10 173.78 1bk4 s PRO 307 N 2.40 3.81 -0.02 2.72 0.02 -1.26 -4.96 135.00 137.71 1bk4 s PRO 307 Ca 0.23 1.90 0.06 0.00 0.02 0.00 0.00 61.00 63.21 1bk4 s PRO 307 Cb -0.16 -2.52 -0.08 0.00 0.02 0.00 0.00 34.50 31.76 1bk4 s PRO 307 CO 0.09 -0.54 0.10 0.25 -0.33 0.00 0.00 177.00 176.56 1bk4 n THR 308 N -0.28 0.10 -3.95 0.99 -2.24 -1.26 -4.86 114.28 102.78 1bk4 n THR 308 Ca 0.06 -0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 1bk4 n THR 308 Cb 0.47 0.02 -0.14 0.00 -2.10 0.00 0.00 70.33 68.57 1bk4 n THR 308 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bk4 s ASP 309 N -2.95 0.17 0.51 3.42 2.15 -1.26 -5.04 116.67 113.67 1bk4 s ASP 309 Ca -0.02 -0.04 0.34 0.00 0.43 0.00 0.00 52.55 53.26 1bk4 s ASP 309 Cb 0.03 -0.02 1.69 0.00 -0.30 0.00 0.00 42.92 44.33 1bk4 s ASP 309 CO 0.24 0.01 2.03 0.16 -0.17 0.00 0.00 175.17 177.44 1bk4 h ILE 310 N 5.10 0.00 -0.27 4.11 3.07 -1.95 -2.10 117.51 125.46 1bk4 h ILE 310 Ca -0.25 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 65.99 1bk4 h ILE 310 Cb 1.21 1.02 0.00 0.00 -0.27 0.00 0.00 36.82 38.78 1bk4 h ILE 310 CO 0.51 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.02 1bk4 n HIS 311 N -2.79 0.92 -1.80 0.16 8.25 -1.26 -4.58 115.22 114.11 1bk4 n HIS 311 Ca -0.01 -0.84 -0.39 0.00 -0.26 0.00 0.00 57.72 56.22 1bk4 n HIS 311 Cb 0.15 -0.29 0.03 0.00 1.12 0.00 0.00 29.99 30.99 1bk4 n HIS 311 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1bk4 s GLN 312 N -2.65 3.43 0.44 -0.41 0.74 -0.79 -4.80 119.66 115.62 1bk4 s GLN 312 Ca 0.41 2.32 0.08 0.00 0.05 0.00 0.00 55.36 58.21 1bk4 s GLN 312 Cb 0.32 -2.46 -0.00 0.00 1.10 0.00 0.00 33.01 31.97 1bk4 s GLN 312 CO 0.10 -0.98 0.44 1.03 -0.55 0.00 0.00 175.29 175.32 1bk4 s ARG 313 N -2.67 2.53 -0.16 1.67 0.52 -1.26 0.16 118.95 119.74 1bk4 s ARG 313 Ca 0.66 -1.56 -0.28 0.00 -0.52 0.00 0.00 55.73 54.03 1bk4 s ARG 313 Cb -0.42 -2.42 0.07 0.00 0.52 0.00 0.00 34.95 32.71 1bk4 s ARG 313 CO 0.52 -0.30 0.71 0.00 0.02 0.00 0.00 175.30 176.25 1bk4 s ALA 314 N -2.50 -1.78 0.27 2.13 0.00 -0.55 -4.67 121.76 114.65 1bk4 s ALA 314 Ca 0.49 1.66 -0.26 0.00 0.00 0.00 0.00 51.96 53.84 1bk4 s ALA 314 Cb -0.04 -0.58 -0.09 0.00 0.00 0.00 0.00 23.12 22.41 1bk4 s ALA 314 CO 0.29 -0.35 0.89 -2.14 0.00 0.00 0.00 175.76 174.45 1bk4 s PRO 315 N -0.44 4.62 -0.01 0.00 0.02 -1.14 -4.17 135.00 133.88 1bk4 s PRO 315 Ca -0.06 1.29 0.02 0.00 0.02 0.00 0.00 61.00 62.27 1bk4 s PRO 315 Cb -0.02 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.49 1bk4 s PRO 315 CO 0.05 0.40 -0.05 0.54 -0.33 0.00 0.00 177.00 177.62 1bk4 s VAL 316 N -1.42 0.43 -0.08 3.83 0.11 0.15 -3.98 120.40 119.45 1bk4 s VAL 316 Ca 0.45 -0.21 0.01 0.00 -2.93 0.00 0.00 61.98 59.30 1bk4 s VAL 316 Cb -0.21 -0.39 0.02 0.00 -1.53 0.00 0.00 36.38 34.27 1bk4 s VAL 316 CO 0.26 0.14 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.45 1bk4 s ILE 317 N 0.05 0.97 0.03 7.04 -1.09 0.37 -0.29 121.20 128.28 1bk4 s ILE 317 Ca -0.00 -0.32 -0.16 0.00 -2.23 0.00 0.00 60.65 57.95 1bk4 s ILE 317 Cb -0.04 -0.95 0.03 0.00 -1.58 0.00 0.00 42.46 39.91 1bk4 s ILE 317 CO -0.00 0.34 0.35 -1.48 -1.23 0.00 0.00 174.94 172.92 1bk4 s LEU 318 N 1.22 0.67 0.00 2.97 0.05 0.08 -1.31 118.68 122.36 1bk4 s LEU 318 Ca -0.05 -0.07 0.00 0.00 0.05 0.00 0.00 54.13 54.07 1bk4 s LEU 318 Cb -0.14 1.51 0.00 0.00 -2.05 0.00 0.00 46.19 45.51 1bk4 s LEU 318 CO -0.02 -0.61 0.00 0.61 -0.55 0.00 0.00 176.35 175.77 1bk4 n GLY 319 N 0.64 -0.05 3.71 -3.48 0.00 -0.95 0.45 105.19 105.50 1bk4 n GLY 319 Ca -0.19 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 1bk4 n GLY 319 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bk4 n SER 320 N 0.00 3.00 -0.17 1.61 7.64 0.05 -2.19 113.62 123.57 1bk4 n SER 320 Ca 0.00 1.21 -0.04 0.00 1.01 0.00 0.00 58.87 61.05 1bk4 n SER 320 Cb 0.00 -1.51 0.06 0.00 -1.01 0.00 0.00 64.21 61.75 1bk4 n SER 320 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1bk4 h PRO 321 N 2.81 0.44 0.00 1.43 0.13 -1.76 -1.59 132.00 133.47 1bk4 h PRO 321 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1bk4 h PRO 321 Cb 1.27 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1bk4 h PRO 321 CO 0.64 0.29 0.01 -0.44 -0.23 0.00 0.00 178.00 178.27 1bk4 h ASP 322 N 0.45 0.00 0.08 1.44 5.19 -1.30 -1.91 116.42 120.37 1bk4 h ASP 322 Ca 0.23 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.27 1bk4 h ASP 322 Cb 0.18 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.63 1bk4 h ASP 322 CO -0.19 0.00 -2.28 0.47 -3.12 0.00 0.00 179.24 174.13 1bk4 n ASP 323 N -2.95 1.56 0.15 6.45 8.00 -0.64 -3.40 116.55 125.71 1bk4 n ASP 323 Ca -0.03 0.02 -0.00 0.00 0.71 0.00 0.00 54.79 55.49 1bk4 n ASP 323 Cb 0.07 -0.24 0.22 0.00 -0.02 0.00 0.00 41.12 41.15 1bk4 n ASP 323 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1bk4 h VAL 324 N 0.02 1.39 0.02 2.53 -1.51 -0.99 -1.70 116.25 116.00 1bk4 h VAL 324 Ca -0.51 -1.87 -0.00 0.00 -1.23 0.00 0.00 66.70 63.09 1bk4 h VAL 324 Cb 2.01 2.00 0.00 0.00 -2.13 0.00 0.00 31.29 33.17 1bk4 h VAL 324 CO -0.01 0.53 -0.01 1.56 -1.23 0.00 0.00 177.57 178.42 1bk4 h GLN 325 N 0.01 -0.02 -0.94 5.19 4.20 -1.54 0.34 115.11 122.35 1bk4 h GLN 325 Ca -0.00 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.82 1bk4 h GLN 325 Cb 0.97 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.68 1bk4 h GLN 325 CO 0.07 0.18 0.60 1.49 -0.67 0.00 0.00 178.83 180.51 1bk4 h GLU 326 N -0.22 0.87 -0.03 1.46 4.81 -1.55 -0.26 114.58 119.66 1bk4 h GLU 326 Ca -0.00 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1bk4 h GLU 326 Cb 0.21 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1bk4 h GLU 326 CO 0.00 0.57 0.01 0.35 -0.73 0.00 0.00 179.01 179.22 1bk4 h PHE 327 N 0.90 0.05 -0.87 0.92 3.57 -0.36 -3.12 116.94 118.03 1bk4 h PHE 327 Ca 0.46 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 62.11 1bk4 h PHE 327 Cb 0.51 -0.01 -0.10 0.00 2.79 0.00 0.00 35.95 39.14 1bk4 h PHE 327 CO -0.00 0.26 0.46 -0.07 -2.23 0.00 0.00 178.31 176.72 1bk4 h LEU 328 N -0.18 0.55 0.28 0.59 3.38 0.13 -0.44 115.31 119.63 1bk4 h LEU 328 Ca 0.01 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1bk4 h LEU 328 Cb 0.24 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1bk4 h LEU 328 CO 0.00 0.22 -0.26 -0.33 0.09 0.00 0.00 178.44 178.16 1bk4 h GLU 329 N 0.63 -0.55 -0.10 1.13 4.39 -1.21 -0.48 114.58 118.39 1bk4 h GLU 329 Ca 0.48 0.04 0.03 0.00 0.34 0.00 0.00 59.36 60.25 1bk4 h GLU 329 Cb 0.70 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1bk4 h GLU 329 CO -0.37 -0.37 0.09 0.82 -1.16 0.00 0.00 179.01 178.02 1bk4 h ILE 330 N -0.57 0.68 -0.13 3.13 2.04 -1.37 0.11 117.51 121.39 1bk4 h ILE 330 Ca -0.01 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 1bk4 h ILE 330 Cb 0.52 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1bk4 h ILE 330 CO -0.04 0.00 -0.10 0.22 0.00 0.00 0.00 178.15 178.23 1bk4 h TYR 331 N 0.00 0.35 -0.02 1.37 3.20 0.42 -3.14 116.97 119.15 1bk4 h TYR 331 Ca 0.05 -0.10 -0.15 0.00 3.14 0.00 0.00 58.73 61.67 1bk4 h TYR 331 Cb 0.22 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1bk4 h TYR 331 CO 0.00 0.67 -0.68 1.57 -1.64 0.00 0.00 178.16 178.08 1bk4 h LYS 332 N -0.07 0.10 0.00 1.82 2.10 -0.20 -1.68 116.57 118.64 1bk4 h LYS 332 Ca 0.03 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1bk4 h LYS 332 Cb 0.59 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 1bk4 h LYS 332 CO 0.03 0.74 0.01 0.87 -2.00 0.00 0.00 179.45 179.10 1bk4 h LYS 333 N 0.07 0.00 0.00 0.07 1.57 -0.83 -0.18 116.57 117.27 1bk4 h LYS 333 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1bk4 h LYS 333 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1bk4 h LYS 333 CO 0.10 0.00 -0.63 0.72 -0.57 0.00 0.00 179.45 179.07 1bk4 n HIS 334 N -2.96 0.00 0.09 -1.35 8.25 -1.06 -4.42 115.22 113.78 1bk4 n HIS 334 Ca -0.03 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.39 1bk4 n HIS 334 Cb 0.08 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 1bk4 n HIS 334 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bk4 h ALA 335 N 1.60 0.52 -6.78 -1.41 0.00 -0.09 -3.47 119.26 109.63 1bk4 h ALA 335 Ca 0.00 -0.75 -0.54 0.00 0.00 0.00 0.00 54.91 53.62 1bk4 h ALA 335 Cb 0.30 -0.13 -0.20 0.00 0.00 0.00 0.00 17.79 17.75 1bk4 h ALA 335 CO 0.00 1.03 -0.83 1.33 0.00 0.00 0.00 179.25 180.78 1bk4 n VAL 336 N -3.39 -0.75 1.93 0.00 0.24 -0.92 -5.08 118.33 110.36 1bk4 n VAL 336 Ca 0.00 -0.37 0.16 0.00 -2.04 0.00 0.00 64.34 62.09 1bk4 n VAL 336 Cb 0.84 -0.81 0.89 0.00 -1.47 0.00 0.00 33.84 33.29 1bk4 n VAL 336 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86